70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.301256626420
  N      -3.058031     -3.540972      1.980329
  C      -3.053206     -4.156717      0.661078
  C      -2.548582     -5.578624      0.884528
  N      -3.346480     -6.116489      2.011967
  C      -4.353665     -7.060954      1.490834
  C      -5.472921     -7.138085      2.514549
  N      -5.779898     -5.750741      2.818368
  Mo     -4.352782     -4.343813      3.200587
  N      -2.876314     -4.931319      4.364055
  C      -1.811247     -5.801244      3.879376
  C      -2.468992     -6.825930      2.967843
  H      -1.313191     -6.315656      4.708163
  H      -1.061640     -5.207407      3.334636
  H      -3.075296     -7.494736      3.585505
  H      -1.722795     -7.425110      2.434915
  H      -6.340308     -7.649796      2.084440
  H      -5.163665     -7.681966      3.418845
  H      -4.768519     -6.657742      0.561268
  H      -3.906132     -8.040689      1.292477
  H      -2.445258     -3.600882     -0.056752
  H      -4.085548     -4.168270      0.280371
  H      -1.490709     -5.548877      1.156917
  H      -2.658398     -6.197407     -0.009319
  C      -2.066701     -2.624378      2.243187
  C      -0.832695     -2.620448      1.568380
  C       0.152471     -1.707193      1.872296
  C      -0.046292     -0.749240      2.863779
  C      -1.247717     -0.700987      3.530340
  C      -2.272295     -1.611084      3.230247
  C      -3.556973     -1.550723      3.874982
  O      -4.238920     -2.632340      4.003828
  C      -4.173838     -0.353705      4.335772
  F      -5.363574     -0.604678      4.954619
  S      -3.735903      1.211282      4.120912
  C      -7.070255     -5.493593      3.189647
  C      -7.858914     -6.466126      3.834417
  C      -9.140916     -6.192344      4.247264
  C      -9.712876     -4.942588      4.011085
  C      -8.993979     -3.980539      3.343080
  C      -7.684806     -4.230078      2.905005
  C      -6.929821     -3.297353      2.104947
  O      -5.658576     -3.395497      2.093997
  C      -7.484308     -2.283536      1.254873
  F      -8.826704     -2.210740      1.145778
  S      -6.556795     -1.240751      0.391476
  C      -2.599086     -4.251363      5.529889
  C      -1.279421     -3.988031      5.937279
  C      -1.007707     -3.222415      7.048395
  C      -2.044066     -2.697478      7.817546
  C      -3.346538     -2.978180      7.483220
  C      -3.661276     -3.772288      6.367735
  C      -5.015386     -4.181492      6.085149
  O      -5.335986     -4.587677      4.908901
  C      -6.055083     -4.256897      7.064301
  F      -7.248713     -4.582763      6.496908
  S      -6.016474     -4.097251      8.697543
  H      -0.618316     -3.364986      0.819089
  H       1.095505     -1.753117      1.349715
  H       0.739438     -0.057612      3.119598
  H      -1.394800      0.009911      4.327469
  H      -7.427335     -7.423141      4.079707
  H      -9.700868     -6.945603      4.779667
  H     -10.711039     -4.727739      4.357310
  H      -9.434258     -3.011236      3.175226
  H      -0.452071     -4.329548      5.338238
  H       0.016784     -3.004049      7.305478
  H      -1.829146     -2.068722      8.666092
  H      -4.150552     -2.561821      8.066407
  N      -4.497078     -4.739677      1.112677
  N      -4.593275     -5.003587     -0.279264
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.368286845587
  N      -3.038377     -3.522556      1.974221
  C      -3.035140     -4.147759      0.647698
  C      -2.517360     -5.589939      0.883495
  N      -3.328270     -6.142564      2.011526
  C      -4.340651     -7.103607      1.495612
  C      -5.467265     -7.157612      2.515527
  N      -5.797645     -5.761298      2.811529
  Mo     -4.360589     -4.342008      3.189653
  N      -2.870280     -4.940530      4.360221
  C      -1.802103     -5.812626      3.880450
  C      -2.451165     -6.845259      2.976050
  H      -1.306147     -6.322266      4.715316
  H      -1.049091     -5.220925      3.334499
  H      -3.060351     -7.513638      3.593592
  H      -1.698167     -7.446555      2.450169
  H      -6.331346     -7.680173      2.088445
  H      -5.157145     -7.688086      3.430737
  H      -4.757385     -6.721768      0.558350
  H      -3.886990     -8.086480      1.312779
  H      -2.424971     -3.586416     -0.071336
  H      -4.126007     -4.150967      0.226843
  H      -1.459691     -5.554983      1.168899
  H      -2.615068     -6.209956     -0.012634
  C      -2.042971     -2.604948      2.249219
  C      -0.802814     -2.610550      1.580310
  C       0.188752     -1.698337      1.889297
  C      -0.014759     -0.736362      2.880578
  C      -1.226807     -0.682233      3.539706
  C      -2.255744     -1.588972      3.233112
  C      -3.550521     -1.524975      3.867315
  O      -4.240269     -2.615287      3.993099
  C      -4.175969     -0.325965      4.327187
  F      -5.370815     -0.586388      4.937951
  S      -3.740963      1.243890      4.123359
  C      -7.093814     -5.499512      3.183984
  C      -7.881197     -6.475352      3.831307
  C      -9.166925     -6.203186      4.248250
  C      -9.742008     -4.950179      4.014600
  C      -9.022880     -3.983321      3.344577
  C      -7.710604     -4.228332      2.900235
  C      -6.964021     -3.278766      2.101136
  O      -5.684534     -3.369067      2.076973
  C      -7.535026     -2.257244      1.261015
  F      -8.883617     -2.208788      1.177273
  S      -6.639667     -1.188712      0.391280
  C      -2.594497     -4.257252      5.531915
  C      -1.269964     -3.999555      5.935594
  C      -0.989646     -3.230094      7.047743
  C      -2.024062     -2.696948      7.818619
  C      -3.333558     -2.973956      7.485797
  C      -3.657344     -3.771344      6.371513
  C      -5.020662     -4.175956      6.090353
  O      -5.348692     -4.583315      4.908186
  C      -6.068172     -4.249915      7.073037
  F      -7.261766     -4.568796      6.496416
  S      -6.037351     -4.095326      8.707931
  H      -0.587837     -3.362804      0.830944
  H       1.139299     -1.749938      1.371084
  H       0.775471     -0.044463      3.142971
  H      -1.379014      0.033127      4.336776
  H      -7.445125     -7.435861      4.075058
  H      -9.726853     -6.961494      4.783247
  H     -10.743838     -4.735540      4.365238
  H      -9.466139     -3.010600      3.179518
  H      -0.443727     -4.348819      5.330983
  H       0.041494     -3.015389      7.302198
  H      -1.803627     -2.063486      8.668349
  H      -4.136833     -2.550484      8.071316
  N      -4.529023     -4.728238      1.065936
  N      -4.670871     -5.009826     -0.344962
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.418205846754
  N      -3.017238     -3.506911      1.966904
  C      -3.015107     -4.142492      0.641362
  C      -2.492405     -5.596214      0.889328
  N      -3.312140     -6.162008      2.012677
  C      -4.327564     -7.133285      1.500296
  C      -5.462589     -7.170668      2.513202
  N      -5.815809     -5.770968      2.802456
  Mo     -4.369001     -4.340334      3.179944
  N      -2.862619     -4.950423      4.359024
  C      -1.792875     -5.822450      3.882461
  C      -2.435702     -6.859579      2.983148
  H      -1.298247     -6.328253      4.722043
  H      -1.036777     -5.232914      3.335533
  H      -3.048030     -7.528531      3.598865
  H      -1.677171     -7.461974      2.462424
  H      -6.323124     -7.701854      2.086658
  H      -5.153533     -7.690243      3.437286
  H      -4.742023     -6.766747      0.556633
  H      -3.867890     -8.117486      1.330876
  H      -2.407221     -3.577437     -0.080094
  H      -4.160508     -4.139666      0.173416
  H      -1.437114     -5.557317      1.188229
  H      -2.579904     -6.215882     -0.010089
  C      -2.019578     -2.591041      2.252566
  C      -0.775018     -2.608632      1.589305
  C       0.223274     -1.698800      1.902184
  C       0.016295     -0.732600      2.892315
  C      -1.204635     -0.670843      3.544400
  C      -2.238747     -1.572396      3.233323
  C      -3.540525     -1.500824      3.860065
  O      -4.240422     -2.595225      3.985924
  C      -4.168185     -0.298550      4.319206
  F      -5.366826     -0.562316      4.925932
  S      -3.728262      1.272746      4.123016
  C      -7.115270     -5.506645      3.174086
  C      -7.898125     -6.489120      3.819885
  C      -9.187030     -6.223397      4.242374
  C      -9.766786     -4.968299      4.016701
  C      -9.049739     -3.993730      3.348428
  C      -7.734878     -4.229289      2.895921
  C      -7.000125     -3.259092      2.101877
  O      -5.715921     -3.335914      2.059566
  C      -7.588353     -2.227311      1.275072
  F      -8.942281     -2.206349      1.216489
  S      -6.729106     -1.130673      0.404990
  C      -2.591788     -4.262953      5.535334
  C      -1.264234     -4.008706      5.937421
  C      -0.978802     -3.234093      7.049625
  C      -2.012972     -2.693533      7.819113
  C      -3.327233     -2.968747      7.485479
  C      -3.656087     -3.770084      6.373453
  C      -5.026220     -4.168240      6.094879
  O      -5.364560     -4.577956      4.910426
  C      -6.077236     -4.235939      7.083742
  F      -7.273378     -4.546697      6.503580
  S      -6.043949     -4.080155      8.718421
  H      -0.562084     -3.368623      0.841375
  H       1.179790     -1.757197      1.388486
  H       0.810671     -0.041809      3.160193
  H      -1.360571      0.049243      4.340403
  H      -7.455179     -7.451719      4.057680
  H      -9.744341     -6.989161      4.776638
  H     -10.771182     -4.756886      4.372661
  H      -9.497579     -3.019097      3.190679
  H      -0.438708     -4.364940      5.330011
  H       0.056991     -3.021817      7.302775
  H      -1.790183     -2.054841      8.668740
  H      -4.131460     -2.539182      8.070741
  N      -4.554595     -4.718485      1.012443
  N      -4.740988     -5.023278     -0.401342
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.456045055344
  N      -2.997953     -3.495124      1.959098
  C      -2.995428     -4.138688      0.640837
  C      -2.472136     -5.598868      0.898555
  N      -3.297840     -6.177148      2.014445
  C      -4.315222     -7.155310      1.507281
  C      -5.458176     -7.177865      2.512494
  N      -5.831146     -5.777834      2.793736
  Mo     -4.377234     -4.338217      3.170376
  N      -2.856048     -4.957872      4.357753
  C      -1.785093     -5.828106      3.883974
  C      -2.422310     -6.869343      2.989497
  H      -1.291041     -6.329564      4.727672
  H      -1.026431     -5.240871      3.335977
  H      -3.037240     -7.538773      3.603423
  H      -1.659395     -7.472446      2.473118
  H      -6.315158     -7.716957      2.086497
  H      -5.151687     -7.687231      3.444628
  H      -4.725567     -6.802662      0.557374
  H      -3.851276     -8.140716      1.351595
  H      -2.391772     -3.571187     -0.084568
  H      -4.192723     -4.127126      0.123464
  H      -1.419952     -5.556658      1.210293
  H      -2.550191     -6.217061     -0.004506
  C      -1.999373     -2.583075      2.254268
  C      -0.750960     -2.611884      1.597408
  C       0.252148     -1.704961      1.913891
  C       0.041746     -0.735202      2.901781
  C      -1.185788     -0.665898      3.546274
  C      -2.224567     -1.562056      3.231671
  C      -3.530758     -1.482298      3.852363
  O      -4.240603     -2.576005      3.980057
  C      -4.156828     -0.276520      4.310952
  F      -5.357756     -0.539414      4.916167
  S      -3.708313      1.293866      4.120454
  C      -7.131401     -5.512670      3.163660
  C      -7.909041     -6.502220      3.806629
  C      -9.199656     -6.244523      4.234622
  C      -9.783765     -4.988483      4.018658
  C      -9.069991     -4.006595      3.353867
  C      -7.753691     -4.231388      2.893067
  C      -7.031275     -3.241722      2.106476
  O      -5.746507     -3.301774      2.044611
  C      -7.636075     -2.199603      1.293502
  F      -8.993777     -2.204050      1.255526
  S      -6.810492     -1.077849      0.428081
  C      -2.591359     -4.267280      5.537032
  C      -1.262188     -4.015892      5.939043
  C      -0.973539     -3.237317      7.050668
  C      -2.007509     -2.690289      7.817398
  C      -3.324310     -2.963533      7.481883
  C      -3.656502     -3.768263      6.372392
  C      -5.031116     -4.159460      6.095931
  O      -5.379397     -4.570642      4.912301
  C      -6.084774     -4.221840      7.089299
  F      -7.282440     -4.524337      6.505253
  S      -6.049641     -4.066657      8.723242
  H      -0.540230     -3.378339      0.852057
  H       1.213417     -1.769625      1.405286
  H       0.838974     -0.045956      3.174492
  H      -1.344751      0.058848      4.339816
  H      -7.459203     -7.465655      4.037044
  H      -9.753258     -7.017649      4.766692
  H     -10.789448     -4.780968      4.379857
  H      -9.522629     -3.031212      3.205023
  H      -0.437408     -4.378049      5.330539
  H       0.065321     -3.027604      7.303305
  H      -1.783894     -2.047449      8.666597
  H      -4.129231     -2.528788      8.065669
  N      -4.578744     -4.706540      0.956335
  N      -4.809115     -5.032380     -0.444991
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.485975076963
  N      -2.980885     -3.487885      1.950906
  C      -2.975504     -4.137360      0.644292
  C      -2.456330     -5.599827      0.908327
  N      -3.285795     -6.188770      2.015507
  C      -4.304986     -7.170217      1.514858
  C      -5.454506     -7.180129      2.513069
  N      -5.843136     -5.781986      2.785851
  Mo     -4.384792     -4.336339      3.160822
  N      -2.850762     -4.962372      4.355919
  C      -1.778524     -5.829662      3.883997
  C      -2.410983     -6.875190      2.994154
  H      -1.284013     -6.326402      4.731038
  H      -1.018004     -5.244730      3.334609
  H      -3.027619     -7.544771      3.607059
  H      -1.644983     -7.478903      2.481094
  H      -6.308176     -7.726220      2.087692
  H      -5.151468     -7.680750      3.452043
  H      -4.710052     -6.829543      0.558809
  H      -3.839302     -8.157222      1.372430
  H      -2.377060     -3.569300     -0.086887
  H      -4.221509     -4.113549      0.077312
  H      -1.407459     -5.555427      1.231427
  H      -2.526240     -6.215919      0.001620
  C      -1.982081     -2.580398      2.254930
  C      -0.729538     -2.618858      1.605481
  C       0.276373     -1.714785      1.925653
  C       0.062075     -0.741901      2.910541
  C      -1.170486     -0.665744      3.546799
  C      -2.213123     -1.557106      3.228880
  C      -3.522047     -1.469927      3.844343
  O      -4.240970     -2.559800      3.974637
  C      -4.144361     -0.260422      4.302920
  F      -5.346467     -0.519885      4.908089
  S      -3.685851      1.307825      4.117395
  C      -7.142976     -5.517771      3.153691
  C      -7.915944     -6.514483      3.792928
  C      -9.207237     -6.265360      4.225783
  C      -9.795111     -5.008866      4.020302
  C      -9.084981     -4.020328      3.360242
  C      -7.768008     -4.234300      2.891737
  C      -7.057119     -3.227289      2.114127
  O      -5.774194     -3.269268      2.033412
  C      -7.677833     -2.175543      1.314690
  F      -9.038099     -2.202314      1.291705
  S      -6.881462     -1.031896      0.457502
  C      -2.592202     -4.269717      5.536985
  C      -1.262364     -4.020261      5.940479
  C      -0.972270     -3.238876      7.051332
  C      -2.006321     -2.686545      7.814655
  C      -3.323942     -2.957924      7.476335
  C      -3.657670     -3.765446      6.369039
  C      -5.034773     -4.149929      6.093938
  O      -5.391726     -4.561799      4.912907
  C      -6.089835     -4.207923      7.091310
  F      -7.289060     -4.502103      6.504932
  S      -6.051854     -4.054054      8.724225
  H      -0.520283     -3.390561      0.863457
  H       1.241669     -1.784834      1.422769
  H       0.860884     -0.054154      3.187763
  H      -1.332329      0.063599      4.336824
  H      -7.459895     -7.478039      4.015440
  H      -9.756855     -7.045420      4.754530
  H     -10.801228     -4.805349      4.386270
  H      -9.542197     -3.044918      3.220959
  H      -0.437969     -4.386973      5.332260
  H       0.068416     -3.031575      7.304234
  H      -1.783184     -2.040694      8.663469
  H      -4.129676     -2.519221      8.057995
  N      -4.601602     -4.694637      0.899762
  N      -4.872920     -5.038580     -0.474439
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.510924293655
  N      -2.966023     -3.484690      1.942294
  C      -2.955001     -4.138170      0.649429
  C      -2.444592     -5.600130      0.916257
  N      -3.276227     -6.197672      2.015233
  C      -4.297326     -7.179833      1.522153
  C      -5.451551     -7.179048      2.514852
  N      -5.851777     -5.783818      2.779096
  Mo     -4.391360     -4.334947      3.151435
  N      -2.846796     -4.963887      4.353808
  C      -1.773120     -5.827646      3.882652
  C      -2.401725     -6.877826      2.997157
  H      -1.277170     -6.319576      4.732205
  H      -1.011456     -5.244884      3.331566
  H      -3.019108     -7.547101      3.610171
  H      -1.633813     -7.482217      2.486497
  H      -6.302167     -7.731523      2.090355
  H      -5.152108     -7.672381      3.459432
  H      -4.696748     -6.849920      0.560177
  H      -3.832315     -8.169038      1.392294
  H      -2.361869     -3.571677     -0.088836
  H      -4.245621     -4.097719      0.034909
  H      -1.398786     -5.554782      1.248841
  H      -2.507795     -6.214045      0.006282
  C      -1.967371     -2.581587      2.254915
  C      -0.710301     -2.628033      1.613694
  C       0.296864     -1.726547      1.937698
  C       0.078230     -0.750788      2.919199
  C      -1.158371     -0.668671      3.546853
  C      -2.203992     -1.556109      3.225475
  C      -3.514624     -1.462861      3.836323
  O      -4.241442     -2.547306      3.969245
  C      -4.132192     -0.249619      4.295663
  F      -5.334754     -0.504658      4.901442
  S      -3.664020      1.316162      4.115046
  C      -7.150982     -5.521948      3.144935
  C      -7.920173     -6.525427      3.780186
  C      -9.211542     -6.284599      4.217104
  C      -9.802629     -5.027826      4.021899
  C      -9.096061     -4.033514      3.366961
  C      -7.778908     -4.237588      2.891681
  C      -7.078191     -3.215842      2.123452
  O      -5.797990     -3.240053      2.026097
  C      -7.714024     -2.156017      1.336662
  F      -9.075980     -2.202004      1.323241
  S      -6.941809     -0.993401      0.489463
  C      -2.593613     -4.270170      5.535764
  C      -1.263631     -4.021986      5.941787
  C      -0.973241     -3.238801      7.051886
  C      -2.007553     -2.682049      7.811738
  C      -3.324985     -2.951579      7.470155
  C      -3.659063     -3.761466      6.364569
  C      -5.037303     -4.140164      6.089835
  O      -5.401029     -4.552054      4.911971
  C      -6.093271     -4.195520      7.090463
  F      -7.293697     -4.481980      6.502407
  S      -6.052859     -4.044557      8.722489
  H      -0.501674     -3.403963      0.875337
  H       1.265695     -1.801110      1.440958
  H       0.877609     -0.064352      3.200724
  H      -1.323157      0.065102      4.332711
  H      -7.458891     -7.488705      3.995102
  H      -9.757317     -7.070851      4.742007
  H     -10.808626     -4.828044      4.392034
  H      -9.557356     -3.058491      3.236961
  H      -0.439264     -4.392061      5.334707
  H       0.068427     -3.033788      7.305548
  H      -1.785593     -2.034184      8.660279
  H      -4.131490     -2.509892      8.049431
  N      -4.623338     -4.683535      0.844369
  N      -4.930777     -5.041863     -0.489560
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.532813085864
  N      -2.953275     -3.484657      1.933336
  C      -2.933895     -4.140533      0.654339
  C      -2.436229     -5.600412      0.921013
  N      -3.269117     -6.204466      2.013530
  C      -4.292080     -7.185672      1.528576
  C      -5.449245     -7.176032      2.517382
  N      -5.857492     -5.783822      2.773459
  Mo     -4.396847     -4.334138      3.142549
  N      -2.844072     -4.962810      4.351831
  C      -1.768940     -5.822924      3.880298
  C      -2.394495     -6.877932      2.998803
  H      -1.270746     -6.310325      4.731495
  H      -1.006789     -5.242091      3.327266
  H      -3.011785     -7.546453      3.613026
  H      -1.625596     -7.483095      2.489788
  H      -6.297067     -7.734348      2.093950
  H      -5.153080     -7.663562      3.466334
  H      -4.685768     -6.865480      0.561091
  H      -3.829662     -8.177596      1.410272
  H      -2.345416     -3.577517     -0.091459
  H      -4.264617     -4.079232     -0.003874
  H      -1.392986     -5.555340      1.261214
  H      -2.494096     -6.212584      0.008454
  C      -1.955048     -2.585158      2.254496
  C      -0.693247     -2.638122      1.621941
  C       0.314202     -1.738961      1.949836
  C       0.091057     -0.760509      2.927876
  C      -1.148971     -0.673321      3.546941
  C      -2.196781     -1.557672      3.221868
  C      -3.508480     -1.459856      3.828719
  O      -4.241845     -2.538523      3.963771
  C      -4.121127     -0.243210      4.289767
  F      -5.323700     -0.494070      4.896362
  S      -3.644751      1.320396      4.114384
  C      -7.156462     -5.525253      3.137594
  C      -7.922645     -6.534850      3.768933
  C      -9.213837     -6.301655      4.209133
  C      -9.807739     -5.044691      4.023466
  C      -9.104476     -4.045418      3.373496
  C      -7.787426     -4.240942      2.892476
  C      -7.095289     -3.207097      2.133257
  O      -5.817653     -3.215160      2.022387
  C      -7.744778     -2.141122      1.357838
  F      -9.107795     -2.203191      1.349076
  S      -6.991451     -0.962132      0.521116
  C      -2.595093     -4.268864      5.533972
  C      -1.265247     -4.021540      5.943108
  C      -0.975310     -3.237333      7.052604
  C      -2.010033     -2.676864      7.809221
  C      -3.326773     -2.944562      7.464216
  C      -3.660357     -3.756422      6.359835
  C      -5.038836     -4.130512      6.084560
  O      -5.407424     -4.542029      4.909719
  C      -6.095302     -4.184826      7.087900
  F      -7.296736     -4.464388      6.498862
  S      -6.052644     -4.037846      8.719277
  H      -0.484588     -3.417478      0.887247
  H       1.286194     -1.817325      1.459364
  H       0.890349     -0.075209      3.213516
  H      -1.316767      0.064567      4.328414
  H      -7.457112     -7.497676      3.977016
  H      -9.756091     -7.093301      4.730089
  H     -10.813322     -4.848307      4.397180
  H      -9.569263     -3.070980      3.251980
  H      -0.440583     -4.394020      5.337645
  H       0.066794     -3.034450      7.307367
  H      -1.789546     -2.027789      8.657641
  H      -4.134042     -2.500686      8.041113
  N      -4.644627     -4.674112      0.791337
  N      -4.982815     -5.043336     -0.491422
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.552636688628
  N      -2.942416     -3.486879      1.924183
  C      -2.912022     -4.143634      0.657973
  C      -2.430544     -5.600910      0.922127
  N      -3.264366     -6.209591      2.010528
  C      -4.289003     -7.189017      1.533973
  C      -5.447570     -7.172067      2.520431
  N      -5.860901     -5.782420      2.768873
  Mo     -4.401256     -4.333842      3.134463
  N      -2.842448     -4.959664      4.350279
  C      -1.766055     -5.816324      3.877228
  C      -2.389265     -6.876057      2.999356
  H      -1.264974     -6.299765      4.729203
  H      -1.003993     -5.237113      3.322041
  H      -3.005827     -7.543449      3.615688
  H      -1.620073     -7.482078      2.491389
  H      -6.292874     -7.735759      2.098298
  H      -5.154069     -7.655046      3.472654
  H      -4.677168     -6.877883      0.561487
  H      -3.830515     -8.184002      1.426153
  H      -2.326865     -3.585462     -0.094807
  H      -4.278152     -4.058078     -0.039122
  H      -1.389326     -5.557417      1.268429
  H      -2.484268     -6.212040      0.007791
  C      -1.944917     -2.589929      2.253897
  C      -0.678402     -2.648199      1.630111
  C       0.328793     -1.751148      1.961806
  C       0.101196     -0.770134      2.936454
  C      -1.141835     -0.678679      3.547241
  C      -2.191146     -1.560668      3.218341
  C      -3.503416     -1.459716      3.821901
  O      -4.241905     -2.533078      3.958221
  C      -4.111434     -0.240361      4.285758
  F      -5.313736     -0.488049      4.893203
  S      -3.628829      1.321684      4.116214
  C      -7.160238     -5.527764      3.131690
  C      -7.923897     -6.542718      3.759395
  C      -9.214858     -6.316350      4.202208
  C      -9.811315     -5.059298      4.025072
  C      -9.111082     -4.055771      3.379582
  C      -7.794291     -4.244185      2.893813
  C      -7.109118     -3.200691      2.142803
  O      -5.833321     -3.195027      2.021889
  C      -7.770145     -2.130588      1.377257
  F      -9.133777     -2.205716      1.368941
  S      -7.030638     -0.937591      0.550636
  C      -2.596365     -4.266124      5.532029
  C      -1.266804     -4.019494      5.944502
  C      -0.977779     -3.234800      7.053574
  C      -2.012990     -2.671105      7.807248
  C      -3.328851     -2.936941      7.458858
  C      -3.661415     -3.750468      6.355303
  C      -5.039576     -4.121140      6.078730
  O      -5.411341     -4.532108      4.906481
  C      -6.096306     -4.175829      7.084244
  F      -7.298524     -4.449438      6.494659
  S      -6.051672     -4.033671      8.715221
  H      -0.469265     -3.430348      0.898894
  H       1.303612     -1.832764      1.477486
  H       0.900000     -0.085815      3.225959
  H      -1.312667      0.062965      4.324352
  H      -7.454988     -7.505030      3.961610
  H      -9.753950     -7.112622      4.719397
  H     -10.816344     -4.866007      4.401857
  H      -9.578777     -3.081985      3.265502
  H      -0.441606     -4.393693      5.340907
  H       0.064411     -3.033898      7.309676
  H      -1.793995     -2.021413      8.655664
  H      -4.136838     -2.491421      8.033476
  N      -4.666179     -4.666924      0.741115
  N      -5.030242     -5.044285     -0.482626
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.570596138192
  N      -2.933177     -3.490699      1.914882
  C      -2.888951     -4.146768      0.659847
  C      -2.426967     -5.601761      0.919427
  N      -3.261827     -6.213317      2.006265
  C      -4.287895     -7.190798      1.538366
  C      -5.446512     -7.167753      2.523979
  N      -5.862651     -5.780003      2.765238
  Mo     -4.404551     -4.333950      3.127338
  N      -2.841699     -4.954903      4.349313
  C      -1.764423     -5.808396      3.873568
  C      -2.385958     -6.872487      2.998920
  H      -1.259873     -6.288644      4.725429
  H      -1.002985     -5.230463      3.316044
  H      -3.001343     -7.538424      3.618042
  H      -1.617022     -7.479457      2.491529
  H      -6.289558     -7.736550      2.103551
  H      -5.154813     -7.647061      3.478569
  H      -4.671059     -6.888677      0.561326
  H      -3.834172     -8.189031      1.440183
  H      -2.305279     -3.594258     -0.098525
  H      -4.285561     -4.034614     -0.071012
  H      -1.387283     -5.561385      1.270731
  H      -2.477588     -6.212667      0.004160
  C      -1.936798     -2.595077      2.253230
  C      -0.665660     -2.657668      1.638165
  C       0.341013     -1.762578      1.973508
  C       0.109145     -0.779084      2.944866
  C      -1.136564     -0.684047      3.547805
  C      -2.186820     -1.564273      3.215049
  C      -3.499135     -1.461492      3.816194
  O      -4.241283     -2.530528      3.952617
  C      -4.103019     -0.240474      4.284303
  F      -5.304814     -0.486495      4.892678
  S      -3.616334      1.320802      4.121587
  C      -7.162901     -5.529647      3.127166
  C      -7.924362     -6.549168      3.751603
  C      -9.215129     -6.328725      4.196480
  C      -9.813892     -5.071664      4.026832
  C      -9.116392     -4.064523      3.385204
  C      -7.799956     -4.247260      2.895550
  C      -7.120193     -3.196326      2.151803
  O      -5.845299     -3.179663      2.024343
  C      -7.790283     -2.124040      1.394558
  F      -9.154213     -2.209601      1.383059
  S      -7.060100     -0.919142      0.577254
  C      -2.597287     -4.262212      5.530193
  C      -1.268126     -4.016273      5.946078
  C      -0.980367     -3.231394      7.054886
  C      -2.016134     -2.664762      7.805776
  C      -3.331078     -2.928679      7.454059
  C      -3.662229     -3.743685      6.351100
  C      -5.039700     -4.112048      6.072621
  O      -5.413276     -4.522476      4.902532
  C      -6.096532     -4.168328      7.079869
  F      -7.299351     -4.436837      6.490087
  S      -6.050042     -4.031598      8.710620
  H      -0.455702     -3.442102      0.910192
  H       1.318371     -1.847061      1.495125
  H       0.907221     -0.095618      3.237962
  H      -1.310459      0.061025      4.320655
  H      -7.452908     -7.510998      3.948931
  H      -9.751448     -7.128898      4.710211
  H     -10.818288     -4.881155      4.406283
  H      -9.586389     -3.091343      3.277464
  H      -0.442207     -4.391744      5.344533
  H       0.061654     -3.032331      7.312567
  H      -1.798557     -2.014850      8.654248
  H      -4.139755     -2.481858      8.026473
  N      -4.688539     -4.662361      0.693446
  N      -5.075448     -5.046499     -0.467767
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.586690065974
  N      -2.925266     -3.495708      1.905474
  C      -2.864226     -4.149475      0.659982
  C      -2.425091     -5.603085      0.912967
  N      -3.261246     -6.215751      2.000720
  C      -4.288467     -7.191592      1.541875
  C      -5.445967     -7.163425      2.528067
  N      -5.863364     -5.776983      2.762419
  Mo     -4.406637     -4.334361      3.121239
  N      -2.841527     -4.948942      4.349054
  C      -1.763842     -5.799482      3.869410
  C      -2.384367     -6.867321      2.997529
  H      -1.255229     -6.277446      4.720224
  H      -1.003541     -5.222403      3.309433
  H      -2.998319     -7.531526      3.619912
  H      -1.616135     -7.475364      2.490350
  H      -6.286938     -7.737319      2.109938
  H      -5.154998     -7.639571      3.484312
  H      -4.667310     -6.899010      0.560617
  H      -3.839881     -8.193111      1.452866
  H      -2.279876     -3.602968     -0.101933
  H      -4.285910     -4.009592     -0.099557
  H      -1.386511     -5.567688      1.268473
  H      -2.473611     -6.214558     -0.002409
  C      -1.930484     -2.600069      2.252561
  C      -0.654788     -2.666268      1.646171
  C       0.351269     -1.773054      1.984954
  C       0.115359     -0.787047      2.953024
  C      -1.132777     -0.688952      3.548526
  C      -2.183570     -1.567884      3.212021
  C      -3.495316     -1.464411      3.811850
  O      -4.239659     -2.530384      3.946995
  C      -4.095595     -0.243096      4.286067
  F      -5.296621     -0.489279      4.895607
  S      -3.606984      1.318289      4.131564
  C      -7.164842     -5.531151      3.123922
  C      -7.924428     -6.554440      3.745453
  C      -9.215039     -6.338904      4.192007
  C      -9.815770     -5.081833      4.028977
  C      -9.120640     -4.071699      3.390591
  C      -7.804653     -4.250192      2.897720
  C      -7.128828     -3.193743      2.160338
  O      -5.854087     -3.168677      2.029633
  C      -7.805513     -2.120874      1.409778
  F      -9.169474     -2.214979      1.391903
  S      -7.081048     -0.905861      0.601062
  C      -2.597845     -4.257362      5.528662
  C      -1.269205     -4.012197      5.948002
  C      -0.983069     -3.227173      7.056611
  C      -2.019502     -2.657666      7.804617
  C      -3.333540     -2.919624      7.449589
  C      -3.662928     -3.736131      6.347190
  C      -5.039428     -4.103207      6.066352
  O      -5.413797     -4.513252      4.898127
  C      -6.096259     -4.162157      7.075041
  F      -7.299522     -4.426262      6.485345
  S      -6.047867     -4.031441      8.705654
  H      -0.443697     -3.452636      0.921295
  H       1.330937     -1.860223      1.512308
  H       0.912570     -0.104321      3.249419
  H      -1.309807      0.059354      4.317162
  H      -7.451282     -7.515929      3.938736
  H      -9.749032     -7.142307      4.702602
  H     -10.819448     -4.893730      4.410842
  H      -9.592260     -3.098957      3.288232
  H      -0.442399     -4.388717      5.348716
  H       0.058576     -3.029792      7.316153
  H      -1.803282     -2.007689      8.653095
  H      -4.142909     -2.471631      8.019754
  N      -4.711973     -4.660508      0.647663
  N      -5.121996     -5.052080     -0.453691
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.601582980898
  N      -2.918510     -3.501587      1.896237
  C      -2.838260     -4.151483      0.658861
  C      -2.424496     -5.604783      0.903422
  N      -3.262130     -6.216995      1.994151
  C      -4.290188     -7.191764      1.544671
  C      -5.445734     -7.159392      2.532608
  N      -5.863606     -5.773889      2.760340
  Mo     -4.407472     -4.335014      3.116187
  N      -2.841635     -4.942249      4.349399
  C      -1.763958     -5.789983      3.864861
  C      -2.384014     -6.860820      2.995311
  H      -1.250767     -6.266571      4.713774
  H      -1.005273     -5.213214      3.302442
  H      -2.996407     -7.523143      3.621183
  H      -1.616792     -7.470022      2.488080
  H      -6.284717     -7.738510      2.117344
  H      -5.154379     -7.632700      3.489966
  H      -4.665379     -6.909239      0.559515
  H      -3.846608     -8.196442      1.464561
  H      -2.251296     -3.610785     -0.104249
  H      -4.279014     -3.984574     -0.123836
  H      -1.386617     -5.576096      1.262462
  H      -2.471884     -6.217406     -0.011360
  C      -1.925715     -2.604545      2.252022
  C      -0.645536     -2.673866      1.654187
  C       0.359923     -1.782423      1.996061
  C       0.120215     -0.793770      2.960732
  C      -1.130145     -0.693034      3.549238
  C      -2.181189     -1.571078      3.209284
  C      -3.491829     -1.467891      3.808945
  O      -4.236924     -2.532297      3.941361
  C      -4.089214     -0.247866      4.291124
  F      -5.289244     -0.496284      4.902105
  S      -3.600879      1.314577      4.146428
  C      -7.166329     -5.532589      3.121870
  C      -7.924612     -6.558766      3.740779
  C      -9.215093     -6.346836      4.188678
  C      -9.817246     -5.089616      4.031540
  C      -9.123887     -4.077184      3.395855
  C      -7.808429     -4.253027      2.900393
  C      -7.135011     -3.192783      2.168564
  O      -5.860187     -3.161710      2.037496
  C      -7.816096     -2.120268      1.422963
  F      -9.179742     -2.221656      1.396313
  S      -7.094683     -0.896705      0.622441
  C      -2.598061     -4.251909      5.527423
  C      -1.270027     -4.007608      5.950189
  C      -0.985854     -3.222284      7.058567
  C      -2.023108     -2.649854      7.803487
  C      -3.336274     -2.909907      7.445232
  C      -3.663636     -3.728079      6.343471
  C      -5.038961     -4.094772      6.060073
  O      -5.413452     -4.504676      4.893537
  C      -6.095685     -4.157189      7.070108
  F      -7.299312     -4.417435      6.480792
  S      -6.045138     -4.032867      8.700591
  H      -0.432998     -3.461996      0.932366
  H       1.341714     -1.872236      1.528907
  H       0.916503     -0.111613      3.260063
  H      -1.310404      0.058431      4.313652
  H      -7.450760     -7.520219      3.930726
  H      -9.747390     -7.152798      4.696440
  H     -10.820137     -4.903371      4.415620
  H      -9.596296     -3.104558      3.298002
  H      -0.442198     -4.385087      5.353324
  H       0.055272     -3.026356      7.320212
  H      -1.808185     -1.999749      8.651847
  H      -4.146354     -2.460740      8.013073
  N      -4.736408     -4.661183      0.603498
  N      -5.172576     -5.062490     -0.446340
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.616325642561
  N      -2.912917     -3.507764      1.887708
  C      -2.812550     -4.152280      0.656844
  C      -2.424676     -5.606514      0.892001
  N      -3.263929     -6.217325      1.987256
  C      -4.292541     -7.191844      1.546952
  C      -5.445699     -7.156250      2.537427
  N      -5.863957     -5.771389      2.759166
  Mo     -4.407116     -4.335882      3.112293
  N      -2.841713     -4.935324      4.349915
  C      -1.764359     -5.780587      3.860037
  C      -2.384278     -6.853665      2.992614
  H      -1.246345     -6.256579      4.706456
  H      -1.007683     -5.203512      3.295319
  H      -2.995028     -7.514158      3.621989
  H      -1.618183     -7.463988      2.485100
  H      -6.282723     -7.740627      2.125320
  H      -5.152937     -7.627076      3.495473
  H      -4.664873     -6.919284      0.558416
  H      -3.853278     -8.199349      1.475159
  H      -2.221715     -3.616590     -0.105222
  H      -4.266398     -3.961223     -0.142231
  H      -1.387112     -5.585513      1.254020
  H      -2.471671     -6.220698     -0.021596
  C      -1.922200     -2.607949      2.251933
  C      -0.637779     -2.679894      1.662137
  C       0.367193     -1.789988      2.006582
  C       0.123974     -0.798633      2.967859
  C      -1.128454     -0.695763      3.550047
  C      -2.179494     -1.573364      3.207101
  C      -3.488871     -1.471379      3.807374
  O      -4.233148     -2.536218      3.935560
  C      -4.084713     -0.254403      4.298634
  F      -5.283804     -0.507431      4.910924
  S      -3.599229      1.310201      4.165210
  C      -7.167711     -5.534297      3.121039
  C      -7.925746     -6.562226      3.737536
  C      -9.216213     -6.352065      4.186189
  C      -9.818961     -5.094386      4.033947
  C      -9.126306     -4.080539      3.400463
  C      -7.811313     -4.255731      2.903386
  C      -7.138366     -3.193469      2.176144
  O      -5.863683     -3.159068      2.047179
  C      -7.821733     -2.121470      1.433407
  F      -9.184576     -2.228840      1.396872
  S      -7.101131     -0.891190      0.640700
  C      -2.597700     -4.246264      5.526191
  C      -1.270204     -4.002864      5.952053
  C      -0.988154     -3.217141      7.060213
  C      -2.026346     -2.641964      7.802218
  C      -3.338778     -2.900296      7.441145
  C      -3.664147     -3.720153      6.340011
  C      -5.038316     -4.087233      6.054298
  O      -5.412573     -4.497231      4.889215
  C      -6.094766     -4.153456      7.065780
  F      -7.298799     -4.410485      6.477195
  S      -6.041631     -4.035486      8.696155
  H      -0.423481     -3.469700      0.943231
  H       1.350925     -1.882338      1.544432
  H       0.919355     -0.116750      3.269678
  H      -1.312003      0.058721      4.310407
  H      -7.452434     -7.524165      3.925014
  H      -9.747829     -7.159783      4.691482
  H     -10.821145     -4.909180      4.419805
  H      -9.598449     -3.107520      3.305989
  H      -0.441292     -4.381171      5.357462
  H       0.052446     -3.022317      7.323996
  H      -1.812500     -1.991649      8.650437
  H      -4.149532     -2.450025      8.006873
  N      -4.762043     -4.664444      0.561646
  N      -5.227373     -5.078412     -0.446398
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.631319468716
  N      -2.908451     -3.513394      1.880401
  C      -2.788510     -4.151428      0.653930
  C      -2.425623     -5.608535      0.879762
  N      -3.266408     -6.217144      1.980805
  C      -4.295359     -7.192649      1.549051
  C      -5.445960     -7.154606      2.542423
  N      -5.864962     -5.769940      2.758906
  Mo     -4.405654     -4.336852      3.109574
  N      -2.841623     -4.928732      4.350107
  C      -1.764849     -5.772110      3.855019
  C      -2.384871     -6.846708      2.989864
  H      -1.242076     -6.248164      4.698628
  H      -1.010457     -5.194063      3.288246
  H      -2.994017     -7.505504      3.622585
  H      -1.619850     -7.458127      2.482006
  H      -6.281138     -7.744099      2.133631
  H      -5.150893     -7.623123      3.500928
  H      -4.665937     -6.929636      0.557826
  H      -3.859116     -8.202425      1.484742
  H      -2.192750     -3.619621     -0.104958
  H      -4.249499     -3.940615     -0.153058
  H      -1.387942     -5.595824      1.244090
  H      -2.473110     -6.224657     -0.032073
  C      -1.919721     -2.609459      2.252554
  C      -0.631458     -2.683389      1.669981
  C       0.373139     -1.794556      2.016525
  C       0.126637     -0.800545      2.974551
  C      -1.127820     -0.696243      3.551219
  C      -2.178446     -1.573992      3.205711
  C      -3.486803     -1.474181      3.806833
  O      -4.228456     -2.541919      3.929184
  C      -4.083129     -0.262049      4.307444
  F      -5.281550     -0.522137      4.920435
  S      -3.603111      1.305709      4.186289
  C      -7.169363     -5.536403      3.121237
  C      -7.928380     -6.564829      3.735597
  C      -9.219060     -6.354310      4.184131
  C      -9.821465     -5.095805      4.035353
  C      -9.128182     -4.081455      3.403508
  C      -7.813467     -4.258124      2.906102
  C      -7.138625     -3.195601      2.182338
  O      -5.864349     -3.160920      2.057882
  C      -7.821869     -2.123655      1.440052
  F      -9.183386     -2.235586      1.393410
  S      -7.099819     -0.888917      0.654574
  C      -2.596476     -4.240850      5.524795
  C      -1.269236     -3.998408      5.952883
  C      -0.989035     -3.212306      7.060937
  C      -2.028088     -2.634814      7.800695
  C      -3.340144     -2.891714      7.437661
  C      -3.664000     -3.713052      6.337104
  C      -5.037433     -4.081138      6.049892
  O      -5.411337     -4.491401      4.885697
  C      -6.093220     -4.151155      7.062997
  F      -7.297901     -4.405769      6.475480
  S      -6.036907     -4.039334      8.693471
  H      -0.414928     -3.474774      0.953707
  H       1.358697     -1.889189      1.558769
  H       0.921143     -0.118508      3.278428
  H      -1.314843      0.060983      4.307939
  H      -7.456884     -7.527871      3.921716
  H      -9.751246     -7.162898      4.687439
  H     -10.823204     -4.910714      4.422318
  H      -9.598950     -3.107455      3.311002
  H      -0.439372     -4.377380      5.359962
  H       0.051218     -3.018198      7.326584
  H      -1.814802     -1.984274      8.648872
  H      -4.151427     -2.440538      8.001902
  N      -4.789206     -4.670260      0.523392
  N      -5.285391     -5.099486     -0.451825
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.644154501597
  N      -2.904366     -3.517442      1.874716
  C      -2.766927     -4.149120      0.650139
  C      -2.428008     -5.611922      0.867830
  N      -3.269395     -6.216928      1.975217
  C      -4.298473     -7.195254      1.551434
  C      -5.446559     -7.154772      2.547534
  N      -5.867205     -5.769798      2.759149
  Mo     -4.403164     -4.337670      3.107642
  N      -2.841118     -4.923596      4.349481
  C      -1.765134     -5.765743      3.849797
  C      -2.385707     -6.841005      2.987146
  H      -1.237963     -6.242549      4.690457
  H      -1.013149     -5.185976      3.281411
  H      -2.993723     -7.498255      3.622674
  H      -1.621585     -7.453720      2.479250
  H      -6.280239     -7.749127      2.142488
  H      -5.148348     -7.620512      3.506630
  H      -4.668761     -6.941630      0.558218
  H      -3.863144     -8.206392      1.494038
  H      -2.164661     -3.620185     -0.103462
  H      -4.228215     -3.923878     -0.154487
  H      -1.389664     -5.608503      1.233149
  H      -2.477793     -6.230225     -0.041766
  C      -1.917751     -2.608254      2.253861
  C      -0.625991     -2.683701      1.678077
  C       0.378097     -1.795103      2.026514
  C       0.128015     -0.798208      2.981004
  C      -1.128704     -0.693180      3.552518
  C      -2.178191     -1.571920      3.204796
  C      -3.485987     -1.475361      3.806686
  O      -4.223083     -2.548349      3.921684
  C      -4.085150     -0.269772      4.316599
  F      -5.283016     -0.539166      4.929504
  S      -3.612569      1.301614      4.208127
  C      -7.171609     -5.538753      3.122001
  C      -7.932517     -6.566609      3.734750
  C      -9.223560     -6.353820      4.182476
  C      -9.824756     -5.094222      4.035608
  C      -9.129723     -4.080108      3.404638
  C      -7.815191     -4.259901      2.907962
  C      -7.136269     -3.198461      2.186510
  O      -5.862515     -3.166206      2.068584
  C      -7.817000     -2.125550      1.442332
  F      -9.176854     -2.241361      1.386141
  S      -7.091876     -0.888411      0.663691
  C      -2.594340     -4.236466      5.523200
  C      -1.267002     -3.995203      5.952309
  C      -0.987931     -3.208463      7.060219
  C      -2.027534     -2.628884      7.798302
  C      -3.339737     -2.884745      7.434374
  C      -3.662901     -3.707489      6.334604
  C      -5.036389     -4.077018      6.047165
  O      -5.410233     -4.487611      4.883118
  C      -6.090996     -4.150582      7.062009
  F      -7.296671     -4.403210      6.475635
  S      -6.030997     -4.044764      8.692872
  H      -0.406257     -3.476828      0.964486
  H       1.365633     -1.891795      1.572973
  H       0.921518     -0.115358      3.286602
  H      -1.319873      0.066653      4.305874
  H      -7.463731     -7.531283      3.920529
  H      -9.757417     -7.162478      4.684451
  H     -10.826359     -4.908435      4.423143
  H      -9.598256     -3.104636      3.312714
  H      -0.436550     -4.374981      5.360235
  H       0.052294     -3.014729      7.327224
  H      -1.814115     -1.977810      8.646328
  H      -4.151338     -2.432642      7.997774
  N      -4.818475     -4.677681      0.489071
  N      -5.343553     -5.121385     -0.458791
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.660106487771
  N      -2.899796     -3.520073      1.871192
  C      -2.747379     -4.146384      0.647165
  C      -2.432143     -5.616088      0.857871
  N      -3.272853     -6.216504      1.970780
  C      -4.301739     -7.198736      1.554352
  C      -5.447625     -7.155839      2.552605
  N      -5.870595     -5.770672      2.759412
  Mo     -4.400046     -4.338370      3.106462
  N      -2.840385     -4.920906      4.348844
  C      -1.765391     -5.762139      3.845251
  C      -2.387140     -6.836876      2.984624
  H      -1.234351     -6.240437      4.682856
  H      -1.015681     -5.180107      3.275921
  H      -2.994806     -7.492838      3.621955
  H      -1.623940     -7.451071      2.476814
  H      -6.280119     -7.754656      2.151446
  H      -5.146120     -7.618372      3.512474
  H      -4.672422     -6.954062      0.559531
  H      -3.865496     -8.210250      1.503471
  H      -2.136859     -3.619991     -0.099658
  H      -4.201669     -3.911124     -0.147956
  H      -1.392896     -5.622935      1.222756
  H      -2.485989     -6.236059     -0.049700
  C      -1.915841     -2.605386      2.255985
  C      -0.620794     -2.682134      1.687025
  C       0.382120     -1.792604      2.036892
  C       0.127644     -0.791994      2.986657
  C      -1.131474     -0.686653      3.552902
  C      -2.178944     -1.567638      3.203958
  C      -3.486405     -1.475176      3.806602
  O      -4.217589     -2.554295      3.913780
  C      -4.090057     -0.277063      4.325496
  F      -5.286981     -0.556950      4.938041
  S      -3.625726      1.297773      4.229266
  C      -7.174476     -5.541324      3.122342
  C      -7.937796     -6.568447      3.733146
  C      -9.229342     -6.352842      4.179315
  C      -9.828882     -5.092129      4.033711
  C      -9.131506     -4.078366      3.403810
  C      -7.817002     -4.261453      2.908757
  C      -7.133008     -3.201491      2.189518
  O      -5.859753     -3.172507      2.078865
  C      -7.809850     -2.126613      1.442319
  F      -9.168052     -2.246566      1.376868
  S      -7.081030     -0.887787      0.671272
  C      -2.592047     -4.234248      5.522086
  C      -1.264034     -3.994949      5.950812
  C      -0.983620     -3.206652      7.057605
  C      -2.021925     -2.622558      7.794382
  C      -3.335649     -2.876493      7.431457
  C      -3.661332     -3.703812      6.332483
  C      -5.035745     -4.074547      6.045922
  O      -5.410043     -4.485495      4.881697
  C      -6.088936     -4.150560      7.062309
  F      -7.295838     -4.400861      6.476915
  S      -6.025400     -4.050710      8.693702
  H      -0.396812     -3.477445      0.976894
  H       1.371787     -1.891154      1.587847
  H       0.919609     -0.107345      3.293235
  H      -1.327623      0.076392      4.302057
  H      -7.471954     -7.534867      3.918779
  H      -9.765450     -7.161352      4.679780
  H     -10.830602     -4.905512      4.421180
  H      -9.597595     -3.101377      3.311880
  H      -0.434098     -4.376820      5.358858
  H       0.057156     -3.014152      7.324493
  H      -1.806685     -1.970034      8.641282
  H      -4.147020     -2.421890      7.994643
  N      -4.849481     -4.685804      0.456943
  N      -5.397191     -5.138451     -0.463072
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.673415859159
  N      -2.895282     -3.521522      1.868363
  C      -2.730841     -4.143994      0.643155
  C      -2.438796     -5.620504      0.847788
  N      -3.277026     -6.214967      1.966252
  C      -4.305596     -7.201759      1.557221
  C      -5.448872     -7.156936      2.557942
  N      -5.873963     -5.771918      2.759752
  Mo     -4.395411     -4.338529      3.105194
  N      -2.838383     -4.918707      4.347274
  C      -1.764652     -5.759159      3.839889
  C      -2.388845     -6.832756      2.981160
  H      -1.229679     -6.239308      4.674095
  H      -1.017460     -5.174617      3.269594
  H      -2.996357     -7.487345      3.620142
  H      -1.627123     -7.448748      2.473132
  H      -6.280608     -7.759930      2.161291
  H      -5.143578     -7.615928      3.518524
  H      -4.677274     -6.965544      0.561167
  H      -3.867188     -8.212817      1.512367
  H      -2.110719     -3.620335     -0.095880
  H      -4.168125     -3.903695     -0.136081
  H      -1.398327     -5.638334      1.210221
  H      -2.498511     -6.241484     -0.058091
  C      -1.914169     -2.601939      2.257235
  C      -0.616260     -2.679846      1.694567
  C       0.385471     -1.789511      2.046128
  C       0.127207     -0.785707      2.991734
  C      -1.134005     -0.680125      3.553263
  C      -2.179541     -1.562875      3.202842
  C      -3.486431     -1.474581      3.806484
  O      -4.210785     -2.559733      3.905285
  C      -4.094984     -0.284463      4.334763
  F      -5.290490     -0.575117      4.946825
  S      -3.638608      1.293292      4.250410
  C      -7.176729     -5.543343      3.123275
  C      -7.942521     -6.569103      3.733239
  C      -9.234139     -6.349868      4.178492
  C      -9.831575     -5.088110      4.033503
  C      -9.131925     -4.075423      3.403504
  C      -7.817933     -4.262395      2.909618
  C      -7.128640     -3.204921      2.191596
  O      -5.855803     -3.179701      2.088385
  C      -7.800732     -2.127897      1.440489
  F      -9.157419     -2.252048      1.365955
  S      -7.067614     -0.888426      0.676834
  C      -2.589279     -4.231542      5.520478
  C      -1.261623     -3.992455      5.949608
  C      -0.983331     -3.202737      7.055911
  C      -2.023224     -2.618573      7.790325
  C      -3.336213     -2.873866      7.426626
  C      -3.659439     -3.701139      6.329198
  C      -5.033986     -4.073620      6.044486
  O      -5.409410     -4.484842      4.880407
  C      -6.083377     -4.151523      7.063718
  F      -7.293138     -4.399618      6.482394
  S      -6.011798     -4.055639      8.695356
  H      -0.387867     -3.476957      0.987744
  H       1.377032     -1.889891      1.601359
  H       0.917846     -0.099761      3.299351
  H      -1.334906      0.085219      4.299216
  H      -7.479761     -7.537114      3.919086
  H      -9.772470     -7.157524      4.678360
  H     -10.833021     -4.900111      4.421332
  H      -9.595305     -3.096950      3.311080
  H      -0.431030     -4.374546      5.358522
  H       0.056965     -3.008975      7.324367
  H      -1.809145     -1.964828      8.636532
  H      -4.148540     -2.419818      7.988345
  N      -4.880337     -4.695852      0.426627
  N      -5.445117     -5.153486     -0.470158
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.686163233048
  N      -2.891456     -3.522247      1.867732
  C      -2.718124     -4.142444      0.639622
  C      -2.447687     -5.624511      0.839212
  N      -3.282050     -6.212228      1.962922
  C      -4.309735     -7.203757      1.560738
  C      -5.450391     -7.157632      2.563723
  N      -5.876997     -5.773089      2.760511
  Mo     -4.389894     -4.338188      3.105277
  N      -2.836214     -4.917567      4.346820
  C      -1.763982     -5.757047      3.835815
  C      -2.391441     -6.828671      2.978235
  H      -1.225279     -6.239472      4.666465
  H      -1.019265     -5.169842      3.264831
  H      -2.999104     -7.481946      3.618444
  H      -1.631678     -7.446561      2.469571
  H      -6.281560     -7.764370      2.171391
  H      -5.141585     -7.613314      3.524912
  H      -4.682253     -6.975107      0.563646
  H      -3.868360     -8.213798      1.521280
  H      -2.087425     -3.621773     -0.091028
  H      -4.127096     -3.901392     -0.118873
  H      -1.405727     -5.653858      1.197497
  H      -2.514501     -6.245541     -0.065590
  C      -1.913310     -2.598531      2.258566
  C      -0.612951     -2.677035      1.701236
  C       0.387217     -1.785260      2.053546
  C       0.125551     -0.777903      2.994508
  C      -1.137217     -0.672337      3.552164
  C      -2.180608     -1.557615      3.201765
  C      -3.486455     -1.473739      3.807356
  O      -4.203672     -2.564179      3.898380
  C      -4.099810     -0.291392      4.345069
  F      -5.292957     -0.592519      4.957521
  S      -3.650799      1.288686      4.271333
  C      -7.178610     -5.544794      3.124184
  C      -7.947153     -6.569167      3.733057
  C      -9.238968     -6.346454      4.176742
  C      -9.834183     -5.083819      4.031729
  C      -9.132034     -4.072399      3.401819
  C      -7.818398     -4.263055      2.909891
  C      -7.123749     -3.208464      2.193125
  O      -5.851164     -3.186740      2.097535
  C      -7.790583     -2.129491      1.437753
  F      -9.145981     -2.257887      1.353764
  S      -7.052958     -0.889322      0.682060
  C      -2.586500     -4.229942      5.520075
  C      -1.258985     -3.991396      5.948658
  C      -0.981465     -3.199418      7.053741
  C      -2.021963     -2.613543      7.785508
  C      -3.334840     -2.870025      7.422013
  C      -3.657083     -3.699390      6.327278
  C      -5.032503     -4.074094      6.044573
  O      -5.408924     -4.485239      4.880553
  C      -6.079325     -4.155339      7.065019
  F      -7.290618     -4.401758      6.485236
  S      -6.003733     -4.067510      8.697425
  H      -0.380044     -3.475926      0.997990
  H       1.380304     -1.887177      1.612463
  H       0.914711     -0.090171      3.302024
  H      -1.342665      0.095577      4.294440
  H      -7.487361     -7.538549      3.919303
  H      -9.779683     -7.153126      4.675782
  H     -10.835504     -4.894407      4.419201
  H      -9.592831     -3.092654      3.308287
  H      -0.428452     -4.374581      5.358084
  H       0.058536     -3.004797      7.322821
  H      -1.808053     -1.957659      8.630077
  H      -4.147372     -2.415042      7.982442
  N      -4.910093     -4.707287      0.398823
  N      -5.485673     -5.165603     -0.478906
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.698770055190
  N      -2.889196     -3.522335      1.868816
  C      -2.710050     -4.141487      0.635633
  C      -2.458067     -5.627789      0.831280
  N      -3.287703     -6.208539      1.960047
  C      -4.313904     -7.204853      1.563926
  C      -5.451916     -7.158102      2.569049
  N      -5.879291     -5.774145      2.761137
  Mo     -4.383837     -4.337460      3.106332
  N      -2.834048     -4.917115      4.347155
  C      -1.763515     -5.755555      3.832427
  C      -2.394755     -6.824559      2.975282
  H      -1.221298     -6.240666      4.659338
  H      -1.021194     -5.165716      3.260877
  H      -3.002700     -7.476640      3.616424
  H      -1.637306     -7.444283      2.465541
  H      -6.282657     -7.768109      2.180679
  H      -5.139930     -7.610947      3.530654
  H      -4.687120     -6.982742      0.566003
  H      -3.869105     -8.213524      1.528982
  H      -2.068325     -3.623543     -0.086127
  H      -4.078964     -3.903954     -0.097903
  H      -1.414521     -5.668710      1.184315
  H      -2.532370     -6.247960     -0.073073
  C      -1.913773     -2.595521      2.259645
  C      -0.611476     -2.673998      1.706222
  C       0.387216     -1.780799      2.058648
  C       0.123252     -0.770274      2.995547
  C      -1.140391     -0.664941      3.550609
  C      -2.181969     -1.552665      3.201105
  C      -3.486267     -1.473101      3.809584
  O      -4.196681     -2.567711      3.893610
  C      -4.103872     -0.297923      4.356890
  F      -5.293939     -0.608932      4.970386
  S      -3.661575      1.283976      4.292524
  C      -7.179935     -5.545827      3.124739
  C      -7.951131     -6.568843      3.732627
  C      -9.243180     -6.343026      4.174526
  C      -9.836315     -5.079726      4.028945
  C      -9.131797     -4.069695      3.399010
  C      -7.818415     -4.263695      2.909337
  C      -7.118737     -3.212195      2.193561
  O      -5.846241     -3.193481      2.105514
  C      -7.780149     -2.131795      1.433713
  F      -9.134457     -2.264274      1.339811
  S      -7.038049     -0.890935      0.685781
  C      -2.584018     -4.228975      5.520602
  C      -1.256762     -3.990478      5.948626
  C      -0.979993     -3.195932      7.052359
  C      -2.021044     -2.608614      7.781633
  C      -3.333853     -2.866911      7.418574
  C      -3.654864     -3.698517      6.326139
  C      -5.030974     -4.075526      6.045599
  O      -5.408541     -4.486536      4.881750
  C      -6.074169     -4.158872      7.067981
  F      -7.288091     -4.402960      6.491689
  S      -5.992522     -4.076398      8.700895
  H      -0.374539     -3.474274      1.006114
  H       1.381331     -1.883978      1.620244
  H       0.911206     -0.080915      3.302299
  H      -1.349516      0.105099      4.289771
  H      -7.493959     -7.539291      3.919499
  H      -9.786115     -7.148654      4.672811
  H     -10.837575     -4.888937      4.415699
  H      -9.590314     -3.088947      3.303947
  H      -0.426307     -4.374580      5.358598
  H       0.059646     -3.000220      7.321806
  H      -1.807413     -1.950448      8.624359
  H      -4.146813     -2.411382      7.978031
  N      -4.937837     -4.720194      0.372740
  N      -5.518019     -5.176272     -0.491727
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.711660339510
  N      -2.888433     -3.522127      1.871444
  C      -2.706054     -4.141108      0.631459
  C      -2.469090     -5.630222      0.824346
  N      -3.293673     -6.204126      1.957734
  C      -4.317812     -7.204992      1.566824
  C      -5.453312     -7.158088      2.573856
  N      -5.880664     -5.774767      2.761673
  Mo     -4.377578     -4.336371      3.108327
  N      -2.832010     -4.917139      4.348566
  C      -1.763368     -5.754529      3.830120
  C      -2.398641     -6.820397      2.972652
  H      -1.218003     -6.242611      4.653293
  H      -1.023240     -5.162223      3.258164
  H      -3.007033     -7.471439      3.614372
  H      -1.643670     -7.441812      2.461563
  H      -6.283783     -7.770813      2.188972
  H      -5.138643     -7.608616      3.535718
  H      -4.691528     -6.988353      0.568246
  H      -3.869463     -8.212109      1.535541
  H      -2.053254     -3.625336     -0.081046
  H      -4.024923     -3.910393     -0.074412
  H      -1.424172     -5.682486      1.171918
  H      -2.550531     -6.248774     -0.080160
  C      -1.915523     -2.593212      2.260437
  C      -0.611744     -2.671218      1.709553
  C       0.385613     -1.776654      2.061303
  C       0.120429     -0.763174      2.994570
  C      -1.143406     -0.658154      3.548267
  C      -2.183551     -1.548221      3.200647
  C      -3.485713     -1.472524      3.812904
  O      -4.190141     -2.569787      3.891350
  C      -4.106461     -0.303319      4.369519
  F      -5.292813     -0.622819      4.984988
  S      -3.669520      1.279743      4.312803
  C      -7.180633     -5.546172      3.125031
  C      -7.954203     -6.567971      3.732094
  C      -9.246476     -6.339643      4.172184
  C      -9.837821     -5.075921      4.025624
  C      -9.131252     -4.067324      3.395538
  C      -7.818019     -4.264131      2.908220
  C      -7.114124     -3.215682      2.193110
  O      -5.841607     -3.199052      2.111878
  C      -7.770706     -2.134624      1.429004
  F      -9.124216     -2.271030      1.325714
  S      -7.024980     -0.892729      0.688160
  C      -2.581976     -4.228542      5.522200
  C      -1.255012     -3.989942      5.949612
  C      -0.978816     -3.192619      7.051713
  C      -2.020277     -2.603713      7.778475
  C      -3.333003     -2.864074      7.416123
  C      -3.652869     -3.698221      6.326065
  C      -5.029556     -4.077591      6.047594
  O      -5.408218     -4.488292      4.884062
  C      -6.069110     -4.162946      7.071755
  F      -7.285485     -4.405360      6.498984
  S      -5.981728     -4.086443      8.705183
  H      -0.371445     -3.472644      1.012257
  H       1.380265     -1.880929      1.624593
  H       0.907457     -0.072321      3.299823
  H      -1.355286      0.113729      4.284751
  H      -7.499159     -7.539134      3.919724
  H      -9.791286     -7.144268      4.669825
  H     -10.839059     -4.883867      4.411413
  H      -9.587930     -3.085891      3.298647
  H      -0.424735     -4.375012      5.360150
  H       0.060454     -2.995774      7.321196
  H      -1.806908     -1.942942      8.618972
  H      -4.146232     -2.407774      7.974496
  N      -4.963404     -4.734237      0.347388
  N      -5.541649     -5.185573     -0.507903
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.724428340817
  N      -2.887472     -3.522057      1.874337
  C      -2.702156     -4.141315      0.628150
  C      -2.480409     -5.632906      0.817992
  N      -3.299539     -6.199730      1.955617
  C      -4.321603     -7.205075      1.569875
  C      -5.454603     -7.157958      2.578672
  N      -5.881895     -5.775283      2.762130
  Mo     -4.371111     -4.335278      3.110192
  N      -2.829744     -4.917237      4.349873
  C      -1.763035     -5.753554      3.827824
  C      -2.402449     -6.816295      2.970147
  H      -1.214553     -6.244601      4.647245
  H      -1.025061     -5.158818      3.255491
  H      -3.011308     -7.466263      3.612455
  H      -1.650007     -7.439448      2.457715
  H      -6.284812     -7.773360      2.197276
  H      -5.137311     -7.606167      3.540797
  H      -4.695747     -6.993904      0.570647
  H      -3.869707     -8.210611      1.542263
  H      -2.038505     -3.628198     -0.075359
  H      -3.971712     -3.919657     -0.049067
  H      -1.434148     -5.696623      1.159703
  H      -2.569300     -6.249786     -0.086621
  C      -1.917236     -2.590756      2.261258
  C      -0.611901     -2.668282      1.713105
  C       0.383959     -1.772127      2.064054
  C       0.117318     -0.755499      2.993398
  C      -1.146754     -0.650866      3.545614
  C      -2.185289     -1.543487      3.199965
  C      -3.485227     -1.471871      3.816033
  O      -4.183458     -2.571823      3.888917
  C      -4.109238     -0.308820      4.381960
  F      -5.291736     -0.637011      4.999412
  S      -3.677886      1.275412      4.332944
  C      -7.181174     -5.546403      3.125170
  C      -7.957221     -6.566970      3.731295
  C      -9.249724     -6.336079      4.169487
  C      -9.839193     -5.071899      4.021945
  C      -9.130471     -4.064765      3.391798
  C      -7.817362     -4.264414      2.906941
  C      -7.109190     -3.219022      2.192578
  O      -5.836674     -3.204463      2.118120
  C      -7.760891     -2.137266      1.424265
  F      -9.113548     -2.277510      1.311668
  S      -7.011579     -0.894274      0.690668
  C      -2.579787     -4.228241      5.523679
  C      -1.253131     -3.989511      5.950490
  C      -0.977550     -3.189400      7.050927
  C      -2.019455     -2.598972      7.775143
  C      -3.332079     -2.861497      7.413525
  C      -3.650735     -3.698155      6.325843
  C      -5.027949     -4.079987      6.049414
  O      -5.407734     -4.490266      4.886177
  C      -6.063861     -4.167450      7.075338
  F      -7.282648     -4.408278      6.506089
  S      -5.970721     -4.097175      8.709240
  H      -0.368062     -3.471019      1.018905
  H       1.379213     -1.877485      1.629202
  H       0.903297     -0.062989      3.297070
  H      -1.361582      0.122936      4.279277
  H      -7.504375     -7.538874      3.919666
  H      -9.796487     -7.139685      4.666408
  H     -10.840422     -4.878535      4.406694
  H      -9.585253     -3.082632      3.293070
  H      -0.423018     -4.375498      5.361585
  H       0.061338     -2.991350      7.320433
  H      -1.806381     -1.935558      8.613348
  H      -4.145597     -2.404453      7.970791
  N      -4.989521     -4.747183      0.321394
  N      -5.567550     -5.193247     -0.522491
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.736693461961
  N      -2.886233     -3.521990      1.877636
  C      -2.697948     -4.141591      0.625987
  C      -2.491423     -5.635887      0.812200
  N      -3.305187     -6.195520      1.953728
  C      -4.325508     -7.204795      1.572289
  C      -5.455941     -7.157927      2.582850
  N      -5.883144     -5.775858      2.762326
  Mo     -4.364232     -4.334460      3.111919
  N      -2.827657     -4.917930      4.351481
  C      -1.762942     -5.753470      3.826121
  C      -2.406526     -6.812855      2.968055
  H      -1.211648     -6.247665      4.641843
  H      -1.026878     -5.156393      3.253649
  H      -3.016266     -7.461604      3.610708
  H      -1.656611     -7.437942      2.454537
  H      -6.285927     -7.775795      2.204755
  H      -5.135934     -7.604139      3.545051
  H      -4.700083     -6.998161      0.572542
  H      -3.870255     -8.208792      1.547561
  H      -2.023905     -3.631338     -0.068785
  H      -3.920596     -3.931667     -0.021982
  H      -1.443827     -5.711312      1.147687
  H      -2.588103     -6.250827     -0.092564
  C      -1.918811     -2.587778      2.262269
  C      -0.612121     -2.664596      1.716489
  C       0.382154     -1.766518      2.066286
  C       0.114011     -0.746771      2.991713
  C      -1.150223     -0.642865      3.542840
  C      -2.186903     -1.538388      3.199454
  C      -3.484497     -1.471418      3.819531
  O      -4.176093     -2.574542      3.886238
  C      -4.112105     -0.315186      4.395145
  F      -5.290717     -0.652754      5.014329
  S      -3.686883      1.270372      4.354587
  C      -7.181610     -5.546714      3.125228
  C      -7.960302     -6.566010      3.730217
  C      -9.252984     -6.332283      4.166591
  C      -9.840322     -5.067472      4.018386
  C      -9.129276     -4.061803      3.388282
  C      -7.816410     -4.264595      2.905716
  C      -7.103554     -3.222381      2.192258
  O      -5.831051     -3.210203      2.125110
  C      -7.749905     -2.139546      1.419840
  F      -9.101443     -2.283796      1.296985
  S      -6.996542     -0.895566      0.693956
  C      -2.577665     -4.228282      5.525278
  C      -1.251293     -3.989333      5.951381
  C      -0.976329     -3.185840      7.049725
  C      -2.018682     -2.593346      7.770976
  C      -3.331260     -2.858118      7.410231
  C      -3.648743     -3.698024      6.325403
  C      -5.026405     -4.082570      6.051001
  O      -5.407029     -4.492768      4.887954
  C      -6.058760     -4.172293      7.078578
  F      -7.279828     -4.411898      6.512731
  S      -5.960014     -4.108200      8.712934
  H      -0.364722     -3.468622      1.025362
  H       1.377920     -1.872715      1.633021
  H       0.898833     -0.052355      3.293532
  H      -1.368112      0.132845      4.273657
  H      -7.509894     -7.538806      3.919162
  H      -9.801876     -7.134832      4.662673
  H     -10.841471     -4.872687      4.402248
  H      -9.581896     -3.078820      3.287953
  H      -0.421346     -4.376546      5.363225
  H       0.062177     -2.986470      7.319203
  H      -1.805850     -1.926810      8.606486
  H      -4.145082     -2.399987      7.966127
  N      -5.015009     -4.759395      0.295634
  N      -5.596014     -5.202223     -0.536355
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.748379052636
  N      -2.884529     -3.522260      1.881344
  C      -2.693934     -4.142485      0.624603
  C      -2.502295     -5.639342      0.807113
  N      -3.310525     -6.191355      1.952384
  C      -4.329118     -7.204411      1.575019
  C      -5.457022     -7.157897      2.587258
  N      -5.884143     -5.776345      2.762235
  Mo     -4.357052     -4.333733      3.113617
  N      -2.825674     -4.919149      4.353424
  C      -1.762676     -5.753529      3.824719
  C      -2.410354     -6.809623      2.966389
  H      -1.208383     -6.250746      4.636648
  H      -1.028766     -5.153955      3.251974
  H      -3.020968     -7.457091      3.609439
  H      -1.663012     -7.436651      2.451771
  H      -6.286724     -7.778287      2.212497
  H      -5.134339     -7.601897      3.549623
  H      -4.704152     -7.001907      0.574813
  H      -3.870502     -8.206847      1.552853
  H      -2.009517     -3.635823     -0.061803
  H      -3.871384     -3.945224      0.006240
  H      -1.453180     -5.727249      1.135213
  H      -2.608107     -6.251977     -0.097816
  C      -1.919989     -2.584770      2.263442
  C      -0.612082     -2.660770      1.719796
  C       0.380423     -1.760298      2.067806
  C       0.110532     -0.736990      2.988715
  C      -1.153783     -0.634003      3.539066
  C      -2.188279     -1.533122      3.198847
  C      -3.483440     -1.471121      3.823283
  O      -4.168360     -2.577562      3.883648
  C      -4.114626     -0.322021      4.408746
  F      -5.289251     -0.669241      5.029663
  S      -3.695604      1.264886      4.377290
  C      -7.181780     -5.547018      3.125038
  C      -7.963166     -6.565012      3.728867
  C      -9.256105     -6.328447      4.163146
  C      -9.841447     -5.063081      4.013863
  C      -9.128031     -4.058909      3.383840
  C      -7.815216     -4.264812      2.904055
  C      -7.097466     -3.225803      2.191813
  O      -5.824977     -3.216047      2.132388
  C      -7.738281     -2.141704      1.415588
  F      -9.088640     -2.289467      1.282679
  S      -6.980924     -0.895560      0.699385
  C      -2.575625     -4.228867      5.527104
  C      -1.249547     -3.989518      5.952524
  C      -0.975343     -3.182359      7.048549
  C      -2.018243     -2.587777      7.766759
  C      -3.330735     -2.855101      7.407074
  C      -3.646928     -3.698443      6.325135
  C      -5.024840     -4.085778      6.052529
  O      -5.406172     -4.495661      4.889521
  C      -6.053773     -4.177456      7.081678
  F      -7.277152     -4.415337      6.519197
  S      -5.949472     -4.119009      8.716398
  H      -0.361059     -3.466364      1.032123
  H       1.376658     -1.867237      1.636035
  H       0.893971     -0.040153      3.288027
  H      -1.374832      0.143909      4.266639
  H      -7.515189     -7.538637      3.918634
  H      -9.807163     -7.129891      4.658403
  H     -10.842638     -4.866931      4.396525
  H      -9.578582     -3.075159      3.281524
  H      -0.419696     -4.378070      5.365297
  H       0.062746     -2.981524      7.317999
  H      -1.805729     -1.917887      8.599391
  H      -4.144931     -2.395936      7.961542
  N      -5.041052     -4.769118      0.269442
  N      -5.628540     -5.209867     -0.549404
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.759248601444
  N      -2.882264     -3.522794      1.885470
  C      -2.690380     -4.144159      0.623620
  C      -2.512896     -5.643315      0.802809
  N      -3.315513     -6.186850      1.951811
  C      -4.332508     -7.203297      1.577880
  C      -5.457812     -7.157555      2.591837
  N      -5.884833     -5.776407      2.761835
  Mo     -4.349675     -4.332806      3.115518
  N      -2.823982     -4.920780      4.356044
  C      -1.762205     -5.753265      3.823665
  C      -2.413883     -6.806315      2.965327
  H      -1.204388     -6.253217      4.631569
  H      -1.031070     -5.150842      3.250254
  H      -3.025319     -7.452358      3.608960
  H      -1.669239     -7.435344      2.449534
  H      -6.287190     -7.780450      2.220373
  H      -5.132403     -7.599257      3.554368
  H      -4.708167     -7.003780      0.577360
  H      -3.870622     -8.204194      1.557361
  H      -1.995067     -3.642438     -0.054765
  H      -3.825272     -3.959582      0.034413
  H      -1.461862     -5.745043      1.121287
  H      -2.630479     -6.253138     -0.102205
  C      -1.920443     -2.581907      2.264944
  C      -0.611526     -2.657114      1.723063
  C       0.379204     -1.753977      2.068682
  C       0.107412     -0.726605      2.984429
  C      -1.156937     -0.624505      3.534305
  C      -2.189043     -1.527862      3.198363
  C      -3.481799     -1.470798      3.827505
  O      -4.160580     -2.580499      3.881430
  C      -4.116160     -0.328895      4.422938
  F      -5.286983     -0.685660      5.045314
  S      -3.703295      1.259377      4.400821
  C      -7.181645     -5.547061      3.124799
  C      -7.965524     -6.563737      3.727755
  C      -9.258749     -6.324451      4.159900
  C      -9.842417     -5.058669      4.009090
  C      -9.126834     -4.056003      3.378910
  C      -7.813944     -4.264910      2.902042
  C      -7.091150     -3.229077      2.191252
  O      -5.818681     -3.221810      2.140029
  C      -7.726086     -2.143611      1.411345
  F      -9.074376     -2.297046      1.263766
  S      -6.964196     -0.895702      0.704621
  C      -2.573820     -4.229944      5.529527
  C      -1.248041     -3.989702      5.954218
  C      -0.974838     -3.178494      7.047644
  C      -2.018458     -2.581898      7.762773
  C      -3.330808     -2.852385      7.404490
  C      -3.645540     -3.699623      6.325576
  C      -5.023430     -4.090028      6.054372
  O      -5.405223     -4.499021      4.891071
  C      -6.049193     -4.184149      7.084946
  F      -7.274613     -4.420559      6.525498
  S      -5.939369     -4.133636      8.720027
  H      -0.357040     -3.464561      1.039110
  H       1.375866     -1.861694      1.638301
  H       0.889301     -0.026839      3.280476
  H      -1.381099      0.156033      4.258130
  H      -7.519787     -7.538037      3.918716
  H      -9.811798     -7.124749      4.654605
  H     -10.843715     -4.861258      4.390468
  H      -9.575533     -3.071633      3.274288
  H      -0.418152     -4.379617      5.368112
  H       0.062799     -2.975870      7.317004
  H      -1.806416     -1.908224      8.592238
  H      -4.145488     -2.392280      7.957440
  N      -5.068361     -4.775263      0.242638
  N      -5.667177     -5.215692     -0.562133
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.769040580439
  N      -2.879450     -3.524094      1.889585
  C      -2.688092     -4.147480      0.622482
  C      -2.522336     -5.648006      0.799878
  N      -3.319411     -6.182064      1.952555
  C      -4.334633     -7.201712      1.581602
  C      -5.457426     -7.157051      2.597188
  N      -5.884441     -5.776191      2.761201
  Mo     -4.342327     -4.331576      3.117685
  N      -2.822266     -4.922275      4.359426
  C      -1.760805     -5.751551      3.822921
  C      -2.416116     -6.802499      2.965363
  H      -1.198479     -6.253302      4.626632
  H      -1.033598     -5.145853      3.247888
  H      -3.027931     -7.446939      3.610175
  H      -1.674252     -7.433473      2.448269
  H      -6.286323     -7.782584      2.228974
  H      -5.129437     -7.596104      3.560062
  H      -4.711124     -7.003954      0.580930
  H      -3.869508     -8.201078      1.561811
  H      -1.981029     -3.652540     -0.048271
  H      -3.783412     -3.974112      0.060728
  H      -1.468949     -5.764657      1.105853
  H      -2.655056     -6.254572     -0.104961
  C      -1.919972     -2.580163      2.266055
  C      -0.610338     -2.654868      1.725378
  C       0.378770     -1.748953      2.067757
  C       0.105069     -0.716762      2.977433
  C      -1.159208     -0.615133      3.527157
  C      -2.188937     -1.523313      3.197097
  C      -3.479429     -1.470300      3.831221
  O      -4.153667     -2.582466      3.879719
  C      -4.115714     -0.334583      4.435971
  F      -5.282543     -0.699635      5.060803
  S      -3.707537      1.254713      4.422981
  C      -7.180738     -5.547142      3.124224
  C      -7.966694     -6.562459      3.726940
  C      -9.260681     -6.321127      4.155833
  C      -9.843814     -5.055622      4.001278
  C      -9.126371     -4.054534      3.370620
  C      -7.812559     -4.265681      2.898498
  C      -7.085135     -3.232787      2.189458
  O      -5.812676     -3.227357      2.146572
  C      -7.714960     -2.146077      1.406913
  F      -9.062091     -2.301793      1.250394
  S      -6.950960     -0.889952      0.718221
  C      -2.572272     -4.231246      5.532783
  C      -1.246914     -3.989382      5.957097
  C      -0.975348     -3.174541      7.048279
  C      -2.020123     -2.577139      7.760931
  C      -3.332079     -2.851607      7.404086
  C      -3.644772     -3.702036      6.327311
  C      -5.022156     -4.095676      6.056679
  O      -5.404244     -4.502537      4.892680
  C      -6.045118     -4.192424      7.088565
  F      -7.273061     -4.423299      6.531763
  S      -5.930081     -4.149291      8.723859
  H      -0.352932     -3.464667      1.045534
  H       1.375792     -1.857726      1.638670
  H       0.885321     -0.013553      3.269172
  H      -1.386084      0.168694      4.246537
  H      -7.522526     -7.536857      3.920444
  H      -9.815389     -7.120231      4.650426
  H     -10.845857     -4.857437      4.379969
  H      -9.574212     -3.070174      3.261694
  H      -0.416629     -4.380115      5.372241
  H       0.061721     -2.969775      7.317752
  H      -1.809068     -1.899995      8.587645
  H      -4.147576     -2.391614      7.955909
  N      -5.098072     -4.777066      0.214685
  N      -5.712450     -5.217473     -0.574045
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.777671761814
  N      -2.876742     -3.524913      1.894109
  C      -2.687910     -4.150762      0.621250
  C      -2.530832     -5.652000      0.798269
  N      -3.322918     -6.175989      1.954376
  C      -4.336693     -7.197967      1.584914
  C      -5.456894     -7.155236      2.602241
  N      -5.883746     -5.774512      2.760508
  Mo     -4.335590     -4.329198      3.120720
  N      -2.820953     -4.923286      4.363781
  C      -1.759195     -5.748371      3.822461
  C      -2.418073     -6.797845      2.966207
  H      -1.191546     -6.251299      4.621723
  H      -1.036924     -5.139076      3.244976
  H      -3.030101     -7.440449      3.612594
  H      -1.679210     -7.430848      2.447618
  H      -6.285400     -7.783005      2.236871
  H      -5.126370     -7.592114      3.565243
  H      -4.714421     -6.999340      0.584554
  H      -3.868736     -8.195974      1.563708
  H      -1.968116     -3.664226     -0.041806
  H      -3.748280     -3.986638      0.084204
  H      -1.474861     -5.784377      1.088925
  H      -2.682101     -6.254586     -0.106158
  C      -1.918745     -2.578902      2.267589
  C      -0.608887     -2.653479      1.727094
  C       0.379209     -1.745261      2.065803
  C       0.104196     -0.708213      2.969508
  C      -1.159806     -0.606566      3.519733
  C      -2.187639     -1.519384      3.196567
  C      -3.476108     -1.469096      3.835762
  O      -4.148113     -2.582735      3.879509
  C      -4.112744     -0.338331      4.449143
  F      -5.276806     -0.709747      5.075311
  S      -3.708412      1.251835      4.443400
  C      -7.179596     -5.545971      3.124284
  C      -7.966574     -6.560024      3.727942
  C      -9.261064     -6.317200      4.154609
  C      -9.844350     -5.052231      3.996292
  C      -9.126067     -4.052572      3.364204
  C      -7.811601     -4.265500      2.895326
  C      -7.079960     -3.235128      2.187752
  O      -5.807508     -3.231620      2.152725
  C      -7.704252     -2.147715      1.401836
  F      -9.045550     -2.318604      1.213753
  S      -6.934786     -0.893121      0.716955
  C      -2.571167     -4.232603      5.537236
  C      -1.246237     -3.988353      5.961175
  C      -0.976673     -3.170358      7.050488
  C      -2.022866     -2.573214      7.761410
  C      -3.334304     -2.852358      7.406254
  C      -3.644737     -3.705635      6.331024
  C      -5.021319     -4.102710      6.060263
  O      -5.403585     -4.505955      4.895011
  C      -6.041843     -4.203784      7.093324
  F      -7.271075     -4.433582      6.538535
  S      -5.920994     -4.177169      8.728821
  H      -0.349618     -3.465705      1.050970
  H       1.376387     -1.855342      1.637514
  H       0.883063     -0.001561      3.256301
  H      -1.388552      0.180802      4.234594
  H      -7.523176     -7.534125      3.924349
  H      -9.816518     -7.115140      4.650142
  H     -10.846852     -4.853475      4.373270
  H      -9.573533     -3.068483      3.251558
  H      -0.415320     -4.379234      5.377381
  H       0.059809     -2.963038      7.320002
  H      -1.813099     -1.892793      8.585686
  H      -4.150792     -2.393235      7.957332
  N      -5.131042     -4.773509      0.186055
  N      -5.765891     -5.214696     -0.585911
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.784993126482
  N      -2.873600     -3.527747      1.897495
  C      -2.689042     -4.157119      0.619212
  C      -2.535577     -5.657589      0.798669
  N      -3.323642     -6.171036      1.957808
  C      -4.335446     -7.195328      1.589317
  C      -5.453456     -7.154786      2.608010
  N      -5.880494     -5.774153      2.759413
  Mo     -4.328898     -4.327421      3.123368
  N      -2.819025     -4.923446      4.368597
  C      -1.755879     -5.743348      3.822882
  C      -2.417305     -6.793203      2.969124
  H      -1.182272     -6.245703      4.618245
  H      -1.039518     -5.130554      3.241807
  H      -3.029051     -7.433620      3.617881
  H      -1.681115     -7.428192      2.449520
  H      -6.281243     -7.785042      2.245244
  H      -5.120848     -7.589025      3.571457
  H      -4.714529     -6.994527      0.589454
  H      -3.864715     -8.191990      1.565812
  H      -1.955878     -3.680316     -0.036162
  H      -3.717985     -4.000473      0.103265
  H      -1.477128     -5.804692      1.072531
  H      -2.707185     -6.256373     -0.104653
  C      -1.916469     -2.580534      2.267380
  C      -0.606696     -2.655396      1.726419
  C       0.380694     -1.745061      2.060748
  C       0.104622     -0.702739      2.958001
  C      -1.158963     -0.600433      3.508951
  C      -2.185243     -1.517890      3.193838
  C      -3.472114     -1.468278      3.837464
  O      -4.144638     -2.581738      3.878731
  C      -4.107159     -0.339918      4.457227
  F      -5.267535     -0.714909      5.087935
  S      -3.702936      1.250226      4.458162
  C      -7.176630     -5.546564      3.122983
  C      -7.964298     -6.558896      3.728748
  C      -9.260670     -6.315670      4.149623
  C      -9.846257     -5.052862      3.981700
  C      -9.127021     -4.055141      3.347766
  C      -7.809737     -4.268432      2.887837
  C      -7.075072     -3.240389      2.181851
  O      -5.802639     -3.236878      2.154575
  C      -7.697217     -2.152375      1.395997
  F      -9.042134     -2.312562      1.223509
  S      -6.934998     -0.870240      0.755055
  C      -2.570386     -4.233117      5.542121
  C      -1.246248     -3.985244      5.966489
  C      -0.979905     -3.165063      7.054822
  C      -2.028323     -2.570453      7.764940
  C      -3.338718     -2.855245      7.410834
  C      -3.645697     -3.709803      6.335457
  C      -5.020806     -4.110582      6.063371
  O      -5.402907     -4.509233      4.896645
  C      -6.039443     -4.215596      7.097447
  F      -7.272182     -4.430255      6.544252
  S      -5.914407     -4.195716      8.732870
  H      -0.346436     -3.470474      1.054213
  H       1.377910     -1.856744      1.633086
  H       0.882166      0.007530      3.239087
  H      -1.388843      0.191009      4.218817
  H      -7.520623     -7.531534      3.931302
  H      -9.816779     -7.112112      4.646682
  H     -10.851019     -4.854473      4.352615
  H      -9.576111     -3.072696      3.225642
  H      -0.414028     -4.375075      5.383909
  H       0.055725     -2.954590      7.324888
  H      -1.820879     -1.887787      8.587907
  H      -4.156868     -2.398924      7.961797
  N      -5.166355     -4.769007      0.155119
  N      -5.822605     -5.209279     -0.597946
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.791298538225
  N      -2.872101     -3.527850      1.901724
  C      -2.694118     -4.160267      0.616916
  C      -2.541311     -5.659834      0.799100
  N      -3.325535     -6.163238      1.961237
  C      -4.336072     -7.188856      1.592310
  C      -5.451559     -7.151288      2.612811
  N      -5.878365     -5.770523      2.758530
  Mo     -4.323904     -4.323180      3.127520
  N      -2.818023     -4.922460      4.373902
  C      -1.753321     -5.736422      3.822604
  C      -2.417491     -6.786659      2.971244
  H      -1.173171     -6.238195      4.613567
  H      -1.043618     -5.119725      3.237620
  H      -3.028686     -7.425085      3.622442
  H      -1.684225     -7.423447      2.450018
  H      -6.279055     -7.783262      2.252331
  H      -5.116688     -7.583768      3.576248
  H      -4.717281     -6.983129      0.593691
  H      -3.863109     -8.184387      1.564055
  H      -1.947145     -3.693895     -0.030350
  H      -3.697735     -4.008537      0.118965
  H      -1.480433     -5.821824      1.053775
  H      -2.736114     -6.253737     -0.102837
  C      -1.914353     -2.581218      2.268806
  C      -0.605208     -2.656891      1.726226
  C       0.382707     -1.745969      2.056973
  C       0.106992     -0.699592      2.949610
  C      -1.155923     -0.596062      3.502068
  C      -2.181845     -1.516583      3.194387
  C      -3.467377     -1.466126      3.842412
  O      -4.143320     -2.578177      3.881068
  C      -4.098876     -0.338990      4.468439
  F      -5.258046     -0.715189      5.100680
  S      -3.694237      1.251095      4.473346
  C      -7.174411     -5.543940      3.123810
  C      -7.960711     -6.555079      3.733318
  C      -9.257457     -6.311916      4.153128
  C      -9.845199     -5.050715      3.979862
  C      -9.127245     -4.054265      3.342397
  C      -7.809313     -4.267877      2.884153
  C      -7.072132     -3.241391      2.178589
  O      -5.799709     -3.238980      2.157410
  C      -7.689802     -2.154172      1.388933
  F      -9.022066     -2.345010      1.158595
  S      -6.919634     -0.883215      0.734798
  C      -2.570137     -4.233554      5.548084
  C      -1.246613     -3.981743      5.972397
  C      -0.983223     -3.160459      7.060488
  C      -2.033707     -2.569426      7.771067
  C      -3.343161     -2.859981      7.418464
  C      -3.647128     -3.715224      6.342335
  C      -5.020809     -4.119611      6.068681
  O      -5.403052     -4.511825      4.899890
  C      -6.037596     -4.231422      7.103798
  F      -7.271035     -4.444753      6.551643
  S      -5.906429     -4.236514      8.738924
  H      -0.345451     -3.474163      1.056451
  H       1.379661     -1.859529      1.629173
  H       0.884034      0.013208      3.225571
  H      -1.385541      0.198789      4.208114
  H      -7.515794     -7.526251      3.940196
  H      -9.812376     -7.107166      4.653414
  H     -10.850344     -4.852493      4.349827
  H      -9.577599     -3.073044      3.216133
  H      -0.413188     -4.369620      5.390174
  H       0.051690     -2.946695      7.330711
  H      -1.828416     -1.885114      8.593280
  H      -4.162825     -2.407087      7.970053
  N      -5.206789     -4.757115      0.124651
  N      -5.888657     -5.196203     -0.610789
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.796774911483
  N      -2.870462     -3.529964      1.904198
  C      -2.700743     -4.166530      0.613261
  C      -2.542843     -5.663830      0.801070
  N      -3.324153     -6.156834      1.966283
  C      -4.332995     -7.183883      1.596727
  C      -5.446134     -7.149398      2.618874
  N      -5.873141     -5.768429      2.757330
  Mo     -4.318703     -4.319477      3.131038
  N      -2.816314     -4.919784      4.379799
  C      -1.748983     -5.727187      3.823764
  C      -2.414467     -6.779892      2.975859
  H      -1.161955     -6.226442      4.611185
  H      -1.046707     -5.106864      3.233935
  H      -3.024697     -7.415950      3.630235
  H      -1.683499     -7.418471      2.453934
  H      -6.273043     -7.783504      2.260805
  H      -5.109243     -7.579304      3.582705
  H      -4.716857     -6.971903      0.599682
  H      -3.857867     -8.178261      1.562769
  H      -1.939384     -3.711463     -0.025436
  H      -3.682706     -4.018775      0.129732
  H      -1.479735     -5.839173      1.035144
  H      -2.762541     -6.253233     -0.098357
  C      -1.911219     -2.585053      2.267803
  C      -0.603052     -2.662274      1.722906
  C       0.386195     -1.751707      2.049987
  C       0.111754     -0.701488      2.938483
  C      -1.150329     -0.595733      3.492607
  C      -2.176864     -1.518291      3.192518
  C      -3.461488     -1.464446      3.844093
  O      -4.144399     -2.572932      3.882188
  C      -4.086867     -0.335696      4.474382
  F      -5.244851     -0.709557      5.110109
  S      -3.678104      1.253452      4.481551
  C      -7.169924     -5.543219      3.123194
  C      -7.954602     -6.552379      3.737933
  C      -9.253419     -6.310365      4.152207
  C      -9.845632     -5.052783      3.966471
  C      -9.128620     -4.058399      3.324862
  C      -7.807580     -4.270890      2.875211
  C      -7.069148     -3.246016      2.169929
  O      -5.796780     -3.242519      2.154949
  C      -7.686400     -2.159807      1.380228
  F      -9.019618     -2.348731      1.152543
  S      -6.925376     -0.864628      0.762574
  C      -2.570363     -4.231981      5.554572
  C      -1.247939     -3.974856      5.979784
  C      -0.988921     -3.153206      7.068416
  C      -2.042379     -2.567756      7.779898
  C      -3.350284     -2.865047      7.427842
  C      -3.649847     -3.719926      6.349661
  C      -5.021408     -4.128444      6.073154
  O      -5.403113     -4.513681      4.902132
  C      -6.037028     -4.247424      7.108896
  F      -7.272159     -4.451223      6.557142
  S      -5.901060     -4.273244      8.743397
  H      -0.345055     -3.481891      1.055258
  H       1.382702     -1.867686      1.621788
  H       0.888809      0.013237      3.209299
  H      -1.378476      0.202685      4.194951
  H      -7.507396     -7.520703      3.953081
  H      -9.807247     -7.103859      4.656425
  H     -10.853291     -4.855760      4.330182
  H      -9.582366     -3.080051      3.187409
  H      -0.412554     -4.359596      5.398223
  H       0.044944     -2.935426      7.339435
  H      -1.840435     -1.882619      8.602349
  H      -4.172218     -2.417285      7.980288
  N      -5.251450     -4.746541      0.090397
  N      -5.958685     -5.182531     -0.626076
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.801472441337
  N      -2.870955     -3.530519      1.906096
  C      -2.712030     -4.170804      0.608726
  C      -2.543050     -5.665144      0.803073
  N      -3.321937     -6.149456      1.971255
  C      -4.329497     -7.177277      1.600328
  C      -5.439967     -7.146299      2.624551
  N      -5.867154     -5.764978      2.756061
  Mo     -4.314979     -4.314473      3.135052
  N      -2.814610     -4.915422      4.385539
  C      -1.744315     -5.715905      3.824521
  C      -2.410260     -6.771879      2.980034
  H      -1.150343     -6.211936      4.608684
  H      -1.049826     -5.092033      3.229634
  H      -3.018993     -7.406013      3.637643
  H      -1.681115     -7.411678      2.457363
  H      -6.266552     -7.782176      2.268907
  H      -5.100943     -7.573844      3.588618
  H      -4.717352     -6.956556      0.605826
  H      -3.852705     -8.170623      1.558371
  H      -1.936845     -3.726184     -0.021062
  H      -3.677865     -4.025589      0.136044
  H      -1.477931     -5.851815      1.015603
  H      -2.788554     -6.249685     -0.093268
  C      -1.908962     -2.588972      2.266215
  C      -0.602493     -2.667926      1.717346
  C       0.389357     -1.759407      2.041615
  C       0.118041     -0.707254      2.928770
  C      -1.142680     -0.598969      3.485742
  C      -2.171360     -1.521474      3.191994
  C      -3.455081     -1.462367      3.846980
  O      -4.148872     -2.564930      3.885318
  C      -4.071200     -0.329873      4.481288
  F      -5.227182     -0.698572      5.123516
  S      -3.653777      1.257210      4.491433
  C      -7.164822     -5.541389      3.123438
  C      -7.945900     -6.548776      3.745334
  C      -9.246367     -6.309128      4.155901
  C      -9.844132     -5.055776      3.958118
  C      -9.129898     -4.063141      3.310847
  C      -7.806383     -4.273482      2.866890
  C      -7.068135     -3.249399      2.160739
  O      -5.795779     -3.244297      2.149926
  C      -7.685535     -2.165787      1.369567
  F      -9.010841     -2.372634      1.111871
  S      -6.928128     -0.862817      0.762150
  C      -2.570940     -4.229891      5.561697
  C      -1.249766     -3.967188      5.988277
  C      -0.995494     -3.147644      7.079362
  C      -2.052142     -2.570456      7.793654
  C      -3.358267     -2.874308      7.441385
  C      -3.653083     -3.726018      6.358779
  C      -5.022297     -4.138271      6.078614
  O      -5.403701     -4.514657      4.904989
  C      -6.036874     -4.265454      7.115048
  F      -7.275474     -4.447914      6.563954
  S      -5.896785     -4.306407      8.748766
  H      -0.348067     -3.488956      1.049920
  H       1.384924     -1.877787      1.611803
  H       0.896099      0.007954      3.195475
  H      -1.367426      0.201863      4.186298
  H      -7.494926     -7.513496      3.968891
  H      -9.797504     -7.100966      4.665659
  H     -10.853780     -4.860459      4.317336
  H      -9.587918     -3.088184      3.163502
  H      -0.412187     -4.346996      5.406484
  H       0.037270     -2.925896      7.351508
  H      -1.853952     -1.886726      8.618352
  H      -4.182758     -2.433909      7.996090
  N      -5.303342     -4.732644      0.054366
  N      -6.034411     -5.162971     -0.643642
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.805579756005
  N      -2.872148     -3.530690      1.906354
  C      -2.724715     -4.175469      0.602829
  C      -2.540681     -5.666722      0.805541
  N      -3.318242     -6.142995      1.977344
  C      -4.325330     -7.170882      1.604581
  C      -5.432886     -7.142923      2.631158
  N      -5.860142     -5.760895      2.754886
  Mo     -4.311565     -4.308687      3.138840
  N      -2.813532     -4.908687      4.392171
  C      -1.739973     -5.703298      3.827540
  C      -2.405116     -6.763655      2.986516
  H      -1.139962     -6.195141      4.609636
  H      -1.052710     -5.076634      3.227712
  H      -3.012612     -7.395631      3.647351
  H      -1.676898     -7.404779      2.464432
  H      -6.259385     -7.780442      2.278364
  H      -5.091699     -7.567525      3.595705
  H      -4.718184     -6.939791      0.613377
  H      -3.847628     -8.163420      1.553348
  H      -1.936560     -3.740468     -0.017933
  H      -3.681674     -4.032250      0.136162
  H      -1.473983     -5.862141      0.997556
  H      -2.811123     -6.247457     -0.086538
  C      -1.906199     -2.593638      2.263202
  C      -0.601955     -2.674965      1.709344
  C       0.393981     -1.770487      2.032108
  C       0.127828     -0.718543      2.921058
  C      -1.131226     -0.607078      3.481568
  C      -2.163893     -1.526729      3.191809
  C      -3.446939     -1.460321      3.849576
  O      -4.155120     -2.554973      3.887838
  C      -4.051285     -0.322685      4.487779
  F      -5.209928     -0.682582      5.130247
  S      -3.625756      1.262523      4.495501
  C      -7.158836     -5.538488      3.123812
  C      -7.935845     -6.543026      3.754832
  C      -9.238285     -6.305538      4.160844
  C      -9.842068     -5.057246      3.948225
  C      -9.130668     -4.067231      3.293800
  C      -7.804397     -4.275632      2.856706
  C      -7.066666     -3.252907      2.148434
  O      -5.794412     -3.245968      2.141643
  C      -7.685600     -2.172350      1.356246
  F      -9.008090     -2.386792      1.089341
  S      -6.938634     -0.851000      0.774285
  C      -2.572661     -4.224541      5.569502
  C      -1.252976     -3.955360      5.997498
  C      -1.003955     -3.136888      7.090390
  C      -2.064097     -2.567171      7.806293
  C      -3.368279     -2.877963      7.453452
  C      -3.657970     -3.728568      6.367886
  C      -5.024744     -4.145346      6.083593
  O      -5.404713     -4.513743      4.907215
  C      -6.039003     -4.284051      7.119736
  F      -7.274383     -4.479962      6.566458
  S      -5.892555     -4.372026      8.750865
  H      -0.352663     -3.496410      1.040268
  H       1.388181     -1.891508      1.599710
  H       0.908143     -0.004821      3.185390
  H      -1.350763      0.194912      4.182337
  H      -7.480769     -7.503509      3.988581
  H      -9.786644     -7.094913      4.677465
  H     -10.854089     -4.863562      4.301859
  H      -9.593316     -3.096225      3.134218
  H      -0.412940     -4.330208      5.415811
  H       0.027588     -2.910421      7.363611
  H      -1.870081     -1.883778      8.632476
  H      -4.195536     -2.443922      8.009119
  N      -5.357796     -4.721674      0.016583
  N      -6.113948     -5.148935     -0.666279
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.808947002025
  N      -2.875924     -3.530136      1.906249
  C      -2.741531     -4.178157      0.598145
  C      -2.536721     -5.665433      0.808523
  N      -3.313067     -6.137538      1.982326
  C      -4.319372     -7.165306      1.607510
  C      -5.424621     -7.140203      2.635939
  N      -5.852126     -5.757559      2.752819
  Mo     -4.309089     -4.303710      3.141831
  N      -2.811500     -4.902176      4.397008
  C      -1.734899     -5.691270      3.829262
  C      -2.398234     -6.756146      2.991243
  H      -1.129598     -6.178752      4.609897
  H      -1.054176     -5.062258      3.224961
  H      -3.003998     -7.387078      3.654681
  H      -1.670042     -7.397457      2.469584
  H      -6.251049     -7.779065      2.285484
  H      -5.081909     -7.562243      3.600979
  H      -4.717505     -6.923462      0.620019
  H      -3.840937     -8.156977      1.546528
  H      -1.943156     -3.748948     -0.014266
  H      -3.687948     -4.039968      0.137910
  H      -1.468708     -5.865031      0.983364
  H      -2.827467     -6.243051     -0.079737
  C      -1.906398     -2.597405      2.258643
  C      -0.605001     -2.679861      1.698089
  C       0.395057     -1.779678      2.019478
  C       0.135073     -0.729924      2.912777
  C      -1.121499     -0.616530      3.478482
  C      -2.158629     -1.532430      3.191567
  C      -3.440195     -1.459205      3.852568
  O      -4.163828     -2.544339      3.891398
  C      -4.031191     -0.315769      4.495506
  F      -5.187110     -0.667210      5.147097
  S      -3.591779      1.265830      4.507329
  C      -7.152104     -5.536476      3.123448
  C      -7.923932     -6.538658      3.763951
  C      -9.227955     -6.304449      4.166842
  C      -9.838217     -5.061503      3.940771
  C      -9.130779     -4.073608      3.279043
  C      -7.802207     -4.278959      2.846696
  C      -7.066633     -3.256757      2.135494
  O      -5.794351     -3.247229      2.129755
  C      -7.688405     -2.180635      1.341559
  F      -9.003827     -2.411434      1.052198
  S      -6.948872     -0.850728      0.767494
  C      -2.573854     -4.221076      5.576548
  C      -1.255820     -3.946645      6.007071
  C      -1.012055     -3.133110      7.104613
  C      -2.075637     -2.574155      7.824572
  C      -3.377676     -2.890382      7.469525
  C      -3.662011     -3.734486      6.377087
  C      -5.026240     -4.154316      6.088062
  O      -5.405575     -4.513341      4.909127
  C      -6.040034     -4.301256      7.124441
  F      -7.281305     -4.459735      6.572751
  S      -5.891872     -4.390063      8.755198
  H      -0.361548     -3.500718      1.025990
  H       1.387345     -1.902255      1.583015
  H       0.917950     -0.018368      3.175566
  H      -1.334674      0.184967      4.181667
  H      -7.463804     -7.494468      4.007132
  H      -9.772516     -7.091678      4.690751
  H     -10.852183     -4.869907      4.290170
  H      -9.598590     -3.106816      3.109002
  H      -0.413299     -4.314684      5.424422
  H       0.018243     -2.903021      7.379758
  H      -1.885962     -1.894987      8.655402
  H      -4.207892     -2.465742      8.028270
  N      -5.417083     -4.711875     -0.023246
  N      -6.188259     -5.129830     -0.688172
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.812085412280
  N      -2.880894     -3.528535      1.903726
  C      -2.759388     -4.180897      0.590580
  C      -2.531432     -5.664329      0.810306
  N      -3.306802     -6.132962      1.987804
  C      -4.312877     -7.160415      1.610977
  C      -5.415883     -7.137462      2.641407
  N      -5.843760     -5.753848      2.750401
  Mo     -4.306928     -4.298166      3.144507
  N      -2.810563     -4.893432      4.402210
  C      -1.730231     -5.677412      3.832312
  C      -2.390222     -6.747973      2.997365
  H      -1.120071     -6.159536      4.612363
  H      -1.055938     -5.046124      3.223715
  H      -2.994019     -7.378044      3.663465
  H      -1.660903     -7.389144      2.477248
  H      -6.242330     -7.777779      2.293816
  H      -5.071648     -7.555978      3.607362
  H      -4.716701     -6.907412      0.627650
  H      -3.834071     -8.151262      1.540055
  H      -1.952491     -3.756295     -0.014361
  H      -3.705023     -4.046762      0.131439
  H      -1.462072     -5.864821      0.969586
  H      -2.840329     -6.241139     -0.072769
  C      -1.906515     -2.601114      2.252861
  C      -0.608557     -2.684548      1.684483
  C       0.397055     -1.790906      2.006765
  C       0.145299     -0.746514      2.908640
  C      -1.108500     -0.631280      3.480407
  C      -2.151773     -1.540466      3.193083
  C      -3.432058     -1.459096      3.857106
  O      -4.174034     -2.533172      3.894273
  C      -4.007125     -0.309957      4.506597
  F      -5.162026     -0.651373      5.165320
  S      -3.551835      1.267392      4.523613
  C      -7.144897     -5.533716      3.123100
  C      -7.911310     -6.532462      3.774544
  C      -9.216906     -6.300713      4.174365
  C      -9.833465     -5.063456      3.933636
  C      -9.129944     -4.078517      3.263211
  C      -7.799355     -4.281756      2.835506
  C      -7.065554     -3.260973      2.120202
  O      -5.793434     -3.249487      2.116047
  C      -7.690492     -2.189097      1.324742
  F      -9.001182     -2.431737      1.022814
  S      -6.961619     -0.846191      0.765814
  C      -2.576322     -4.214405      5.583752
  C      -1.260120     -3.933506      6.016235
  C      -1.021964     -3.123483      7.117524
  C      -2.089205     -2.574461      7.840351
  C      -3.389107     -2.896819      7.483206
  C      -3.667825     -3.737005      6.385728
  C      -5.029501     -4.161139      6.091964
  O      -5.407006     -4.511990      4.910192
  C      -6.043127     -4.319138      7.127763
  F      -7.285540     -4.465486      6.575601
  S      -5.891460     -4.430786      8.756670
  H      -0.372097     -3.502907      1.006650
  H       1.386936     -1.914681      1.565007
  H       0.932007     -0.039427      3.172415
  H      -1.313682      0.167592      4.188846
  H      -7.446281     -7.483356      4.028037
  H      -9.757801     -7.084964      4.706605
  H     -10.849324     -4.873576      4.278803
  H      -9.602632     -3.116054      3.081637
  H      -0.414989     -4.294671      5.432786
  H       0.006961     -2.888798      7.394343
  H      -1.904107     -1.898324      8.674912
  H      -4.222474     -2.480797      8.043989
  N      -5.478584     -4.707032     -0.064543
  N      -6.270665     -5.122753     -0.717603
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.814698356640
  N      -2.888099     -3.526015      1.901541
  C      -2.780444     -4.182553      0.586074
  C      -2.524660     -5.660981      0.815298
  N      -3.299567     -6.129593      1.994653
  C      -4.305449     -7.156243      1.615808
  C      -5.407608     -7.133835      2.646956
  N      -5.835364     -5.749070      2.748335
  Mo     -4.305471     -4.292271      3.147025
  N      -2.809663     -4.883592      4.407406
  C      -1.726091     -5.664123      3.837069
  C      -2.381854     -6.740536      3.005043
  H      -1.112553     -6.140613      4.617802
  H      -1.056739     -5.031776      3.224630
  H      -2.983905     -7.370315      3.673088
  H      -1.650404     -7.381022      2.487151
  H      -6.234290     -7.774997      2.301606
  H      -5.063271     -7.548891      3.614279
  H      -4.714047     -6.892678      0.636352
  H      -3.826908     -8.146508      1.536004
  H      -1.968562     -3.758342     -0.013273
  H      -3.722072     -4.057422      0.128882
  H      -1.453907     -5.856479      0.964692
  H      -2.844008     -6.239435     -0.063481
  C      -1.908805     -2.603919      2.245776
  C      -0.615091     -2.688114      1.667760
  C       0.396924     -1.802192      1.990982
  C       0.155575     -0.765332      2.904241
  C      -1.094507     -0.648433      3.483758
  C      -2.145404     -1.548676      3.194555
  C      -3.423605     -1.458919      3.862072
  O      -4.185048     -2.520044      3.897557
  C      -3.981422     -0.303807      4.518997
  F      -5.140822     -0.632631      5.175826
  S      -3.513416      1.270036      4.535129
  C      -7.137832     -5.528764      3.122587
  C      -7.899131     -6.523464      3.785339
  C      -9.205849     -6.293527      4.182925
  C      -9.827796     -5.061711      3.928064
  C      -9.127980     -4.080380      3.248540
  C      -7.795838     -4.282079      2.824350
  C      -7.064400     -3.263225      2.103600
  O      -5.792330     -3.250066      2.098517
  C      -7.693221     -2.196630      1.305754
  F      -9.000200     -2.450225      0.994798
  S      -6.974495     -0.844234      0.754915
  C      -2.579092     -4.206838      5.591169
  C      -1.264686     -3.920638      6.025918
  C      -1.031580     -3.114106      7.130735
  C      -2.102107     -2.573730      7.855618
  C      -3.399908     -2.901121      7.495963
  C      -3.673485     -3.737678      6.394255
  C      -5.032876     -4.165305      6.095728
  O      -5.408496     -4.508772      4.911567
  C      -6.046870     -4.334721      7.130215
  F      -7.284483     -4.502698      6.573946
  S      -5.889891     -4.494438      8.754400
  H      -0.386937     -3.502968      0.982742
  H       1.383636     -1.926839      1.542256
  H       0.947211     -0.064410      3.170045
  H      -1.289748      0.145974      4.199865
  H      -7.429500     -7.469507      4.048759
  H      -9.743236     -7.074289      4.723876
  H     -10.845126     -4.872778      4.269731
  H      -9.605010     -3.122062      3.056181
  H      -0.417226     -4.275388      5.441675
  H      -0.003910     -2.875362      7.409115
  H      -1.921316     -1.900219      8.693402
  H      -4.236040     -2.491936      8.057667
  N      -5.543964     -4.707182     -0.108195
  N      -6.346442     -5.116186     -0.746453
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.817223551661
  N      -2.897426     -3.522555      1.897204
  C      -2.803103     -4.183457      0.579269
  C      -2.516573     -5.656552      0.818347
  N      -3.290717     -6.127839      2.000115
  C      -4.296418     -7.153520      1.618498
  C      -5.398121     -7.132041      2.650192
  N      -5.826229     -5.746142      2.744799
  Mo     -4.304155     -4.287945      3.148924
  N      -2.808826     -4.874131      4.411269
  C      -1.721470     -5.651139      3.840851
  C      -2.371543     -6.733863      3.011266
  H      -1.104876     -6.121588      4.622699
  H      -1.056924     -5.017336      3.225145
  H      -2.971283     -7.364408      3.680796
  H      -1.636730     -7.372547      2.495883
  H      -6.224931     -7.773966      2.306725
  H      -5.053794     -7.543755      3.618874
  H      -4.709670     -6.879095      0.643144
  H      -3.818173     -8.143095      1.529633
  H      -1.989654     -3.756565     -0.016740
  H      -3.747520     -4.068252      0.120776
  H      -1.444003     -5.841648      0.961454
  H      -2.840374     -6.239699     -0.056113
  C      -1.913089     -2.605536      2.237346
  C      -0.624620     -2.687756      1.647378
  C       0.393963     -1.810279      1.973144
  C       0.164306     -0.784987      2.902314
  C      -1.081315     -0.668891      3.491618
  C      -2.140153     -1.558838      3.198090
  C      -3.415761     -1.461680      3.870057
  O      -4.197384     -2.509176      3.901272
  C      -3.954538     -0.302249      4.537930
  F      -5.111905     -0.621138      5.203096
  S      -3.466686      1.265651      4.565311
  C      -7.129946     -5.526008      3.120814
  C      -7.885978     -6.516858      3.794274
  C      -9.193622     -6.288556      4.190419
  C      -9.820589     -5.061878      3.923071
  C      -9.124630     -4.083904      3.234578
  C      -7.791451     -4.284417      2.812599
  C      -7.062232     -3.267693      2.085904
  O      -5.790356     -3.253310      2.079817
  C      -7.694975     -2.206278      1.285386
  F      -8.997770     -2.471470      0.965401
  S      -6.986094     -0.845648      0.741029
  C      -2.581967     -4.200143      5.597861
  C      -1.269513     -3.908231      6.034719
  C      -1.041658     -3.106559      7.144229
  C      -2.115574     -2.576874      7.872292
  C      -3.411309     -2.909199      7.509556
  C      -3.679411     -3.740190      6.402051
  C      -5.036453     -4.171645      6.098849
  O      -5.409913     -4.507922      4.912090
  C      -6.050435     -4.350073      7.132449
  F      -7.292991     -4.484579      6.578181
  S      -5.893129     -4.506566      8.756945
  H      -0.405116     -3.496155      0.951812
  H       1.376709     -1.933478      1.515207
  H       0.961249     -0.091452      3.172018
  H      -1.265750      0.118089      4.218632
  H      -7.411862     -7.458258      4.066679
  H      -9.727515     -7.065904      4.739819
  H     -10.839056     -4.873893      4.262259
  H      -9.605641     -3.129422      3.032718
  H      -0.419670     -4.255141      5.448965
  H      -0.015363     -2.863608      7.424477
  H      -1.939228     -1.907933      8.714864
  H      -4.250554     -2.509201      8.073553
  N      -5.611661     -4.714340     -0.153508
  N      -6.427560     -5.122117     -0.781412
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.819548143446
  N      -2.908772     -3.518395      1.892846
  C      -2.827685     -4.184679      0.574905
  C      -2.507765     -5.651027      0.824680
  N      -3.281347     -6.127689      2.007325
  C      -4.287094     -7.151789      1.622694
  C      -5.389738     -7.129695      2.653605
  N      -5.817522     -5.742487      2.741869
  Mo     -4.303315     -4.283721      3.151155
  N      -2.808601     -4.864040      4.415421
  C      -1.717691     -5.639003      3.846619
  C      -2.361365     -6.728238      3.019525
  H      -1.099340     -6.103074      4.630740
  H      -1.056600     -5.004700      3.228077
  H      -2.958956     -7.360011      3.689979
  H      -1.622249     -7.364645      2.507361
  H      -6.216882     -7.771727      2.311295
  H      -5.046761     -7.538176      3.624060
  H      -4.703564     -6.867893      0.650741
  H      -3.809872     -8.141080      1.526644
  H      -2.017178     -3.751743     -0.021511
  H      -3.774749     -4.083044      0.114535
  H      -1.433159     -5.818659      0.968421
  H      -2.825973     -6.242861     -0.046405
  C      -1.919313     -2.606088      2.227889
  C      -0.637278     -2.684555      1.623463
  C       0.388247     -1.816093      1.951779
  C       0.172292     -0.805342      2.899935
  C      -1.067768     -0.691441      3.501197
  C      -2.135340     -1.569548      3.202298
  C      -3.407526     -1.465288      3.879746
  O      -4.209418     -2.498115      3.905809
  C      -3.926299     -0.302485      4.560342
  F      -5.082007     -0.611702      5.232705
  S      -3.418016      1.258833      4.600457
  C      -7.122473     -5.521329      3.118739
  C      -7.874459     -6.507734      3.802211
  C      -9.182629     -6.279586      4.197288
  C      -9.812896     -5.057161      3.918470
  C      -9.119759     -4.083273      3.221207
  C      -7.786015     -4.284046      2.800810
  C      -7.058512     -3.270610      2.067030
  O      -5.786815     -3.255788      2.058936
  C      -7.694919     -2.214884      1.262713
  F      -8.994935     -2.489663      0.938052
  S      -6.994385     -0.849120      0.719741
  C      -2.585426     -4.192451      5.604769
  C      -1.274771     -3.895318      6.043173
  C      -1.051424     -3.097037      7.156114
  C      -2.128264     -2.575873      7.886045
  C      -3.422154     -2.912736      7.520762
  C      -3.685476     -3.740236      6.409512
  C      -5.040523     -4.175280      6.102158
  O      -5.411405     -4.506006      4.913149
  C      -6.054845     -4.362983      7.134111
  F      -7.295930     -4.501297      6.577659
  S      -5.895187     -4.542303      8.756034
  H      -0.427308     -3.484238      0.914936
  H       1.365957     -1.936240      1.482245
  H       0.975272     -0.120501      3.174237
  H      -1.239960      0.085761      4.241523
  H      -7.397005     -7.445164      4.082769
  H      -9.714010     -7.053022      4.754689
  H     -10.832084     -4.868928      4.255685
  H      -9.603537     -3.131981      3.010638
  H      -0.422946     -4.235311      5.456049
  H      -0.026376     -2.849905      7.437611
  H      -1.955870     -1.909909      8.731900
  H      -4.264026     -2.519509      8.085727
  N      -5.681463     -4.728393     -0.200025
  N      -6.505550     -5.134575     -0.817703
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.821739879149
  N      -2.921355     -3.513720      1.888953
  C      -2.852988     -4.185815      0.572487
  C      -2.498852     -5.644325      0.832548
  N      -3.271389     -6.128925      2.015014
  C      -4.277342     -7.150782      1.626486
  C      -5.381945     -7.127842      2.655672
  N      -5.809011     -5.739364      2.739571
  Mo     -4.302163     -4.280828      3.154449
  N      -2.808015     -4.855341      4.419609
  C      -1.713842     -5.629150      3.853106
  C      -2.350905     -6.724340      3.027924
  H      -1.094674     -6.087252      4.639941
  H      -1.055109     -4.994663      3.232492
  H      -2.946358     -7.358118      3.698576
  H      -1.606942     -7.357797      2.518900
  H      -6.209519     -7.769241      2.313361
  H      -5.041149     -7.534125      3.627765
  H      -4.695472     -6.858803      0.657047
  H      -3.801535     -8.140076      1.524788
  H      -2.050269     -3.744074     -0.028722
  H      -3.804349     -4.100028      0.109623
  H      -1.422219     -5.788414      0.982667
  H      -2.802499     -6.247742     -0.036116
  C      -1.927227     -2.605101      2.218249
  C      -0.652990     -2.676932      1.596691
  C       0.379270     -1.817221      1.927276
  C       0.178484     -0.824046      2.897051
  C      -1.054934     -0.714625      3.512528
  C      -2.131314     -1.580365      3.207906
  C      -3.399149     -1.470731      3.892708
  O      -4.219728     -2.489373      3.912544
  C      -3.898678     -0.306800      4.588212
  F      -5.059590     -0.605990      5.255964
  S      -3.377974      1.250390      4.634283
  C      -7.115166     -5.516654      3.116181
  C      -7.864772     -6.499049      3.807086
  C      -9.173355     -6.270066      4.200859
  C      -9.805095     -5.050550      3.912962
  C      -9.113365     -4.080488      3.208777
  C      -7.779308     -4.282530      2.789798
  C      -7.052519     -3.272948      2.049098
  O      -5.781018     -3.258385      2.039110
  C      -7.691669     -2.222900      1.239834
  F      -8.989841     -2.505384      0.913159
  S      -6.997418     -0.854693      0.694857
  C      -2.588133     -4.186545      5.612078
  C      -1.279009     -3.885037      6.051489
  C      -1.059246     -3.090274      7.167802
  C      -2.138421     -2.577010      7.899717
  C      -3.430841     -2.917518      7.532199
  C      -3.690232     -3.741384      6.417436
  C      -5.043713     -4.179338      6.106580
  O      -5.412010     -4.505472      4.915504
  C      -6.058297     -4.374391      7.136892
  F      -7.299851     -4.505902      6.579789
  S      -5.898105     -4.561096      8.758078
  H      -0.452996     -3.465256      0.872698
  H       1.350820     -1.931925      1.443669
  H       0.987758     -0.148491      3.176154
  H      -1.214092      0.050474      4.268123
  H      -7.385356     -7.433647      4.094034
  H      -9.703568     -7.039931      4.764380
  H     -10.824784     -4.861366      4.248435
  H      -9.598588     -3.131435      2.991177
  H      -0.425657     -4.218330      5.462590
  H      -0.035256     -2.839477      7.450215
  H      -1.969263     -1.914170      8.748748
  H      -4.274889     -2.530459      8.098322
  N      -5.750655     -4.748751     -0.244497
  N      -6.581073     -5.154892     -0.853719
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.823753794293
  N      -2.934774     -3.509742      1.885182
  C      -2.878245     -4.188828      0.571988
  C      -2.489845     -5.638028      0.842732
  N      -3.261430     -6.131400      2.023998
  C      -4.267692     -7.150312      1.630676
  C      -5.375433     -7.126319      2.656956
  N      -5.801281     -5.736624      2.737960
  Mo     -4.301137     -4.279010      3.158330
  N      -2.807935     -4.847188      4.424300
  C      -1.710753     -5.620990      3.861289
  C      -2.341256     -6.721893      3.037965
  H      -1.091733     -6.073245      4.651467
  H      -1.053265     -4.987020      3.238989
  H      -2.935027     -7.357661      3.708415
  H      -1.592228     -7.352426      2.532462
  H      -6.203402     -7.766448      2.313362
  H      -5.037823     -7.531383      3.630625
  H      -4.685362     -6.851497      0.662588
  H      -3.793726     -8.139980      1.525044
  H      -2.087193     -3.737083     -0.037902
  H      -3.834234     -4.121180      0.106606
  H      -1.411733     -5.754345      1.003836
  H      -2.772013     -6.255087     -0.023838
  C      -1.936994     -2.603034      2.207330
  C      -0.671642     -2.665427      1.566878
  C       0.366240     -1.812546      1.898107
  C       0.180657     -0.837599      2.889172
  C      -1.045279     -0.735006      3.520408
  C      -2.129079     -1.590400      3.211956
  C      -3.391630     -1.476823      3.905350
  O      -4.228648     -2.482321      3.919650
  C      -3.871416     -0.312967      4.616958
  F      -5.019497     -0.609695      5.307532
  S      -3.323161      1.233792      4.690276
  C      -7.108690     -5.511682      3.112813
  C      -7.857733     -6.490008      3.809290
  C      -9.166663     -6.258909      4.201118
  C      -9.798070     -5.041149      3.905361
  C      -9.106207     -4.075166      3.195524
  C      -7.771952     -4.279769      2.778338
  C      -7.044687     -3.275123      2.030544
  O      -5.773366     -3.261404      2.019461
  C      -7.685291     -2.231233      1.214484
  F      -8.982174     -2.519926      0.887054
  S      -6.994751     -0.863612      0.663562
  C      -2.591254     -4.180677      5.619672
  C      -1.283522     -3.875130      6.059715
  C      -1.066835     -3.082920      7.178604
  C      -2.148041     -2.576095      7.911702
  C      -3.439196     -2.919873      7.542298
  C      -3.695138     -3.741411      6.425205
  C      -5.047316     -4.182108      6.111346
  O      -5.412629     -4.505234      4.918471
  C      -6.062484     -4.383252      7.139619
  F      -7.302694     -4.518788      6.580342
  S      -5.902263     -4.580448      8.759772
  H      -0.481327     -3.441049      0.826762
  H       1.330772     -1.919537      1.398841
  H       0.995505     -0.170034      3.171501
  H      -1.192028      0.017662      4.290861
  H      -7.377788     -7.422697      4.101790
  H      -9.697124     -7.025153      4.769392
  H     -10.818104     -4.850046      4.238938
  H      -9.591538     -3.127562      2.971683
  H      -0.428877     -4.202511      5.469280
  H      -0.043816     -2.828673      7.461672
  H      -1.981717     -1.915454      8.763042
  H      -4.285092     -2.537609      8.108998
  N      -5.817867     -4.776645     -0.286505
  N      -6.652787     -5.183889     -0.888036
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.825581712011
  N      -2.947929     -3.505259      1.883173
  C      -2.903081     -4.191306      0.573980
  C      -2.480916     -5.630292      0.854189
  N      -3.251228     -6.133704      2.033269
  C      -4.258102     -7.148799      1.633997
  C      -5.369457     -7.124425      2.656856
  N      -5.793655     -5.733638      2.737398
  Mo     -4.299196     -4.277906      3.164039
  N      -2.806814     -4.840890      4.429677
  C      -1.707094     -5.614984      3.869859
  C      -2.331657     -6.720557      3.047669
  H      -1.088581     -6.062293      4.663105
  H      -1.050287     -4.981451      3.246444
  H      -2.923971     -7.358741      3.717301
  H      -1.577785     -7.347925      2.545087
  H      -6.197948     -7.762479      2.310767
  H      -5.035406     -7.529867      3.631573
  H      -4.673906     -6.843394      0.666714
  H      -3.786315     -8.139061      1.524850
  H      -2.127031     -3.728780     -0.047697
  H      -3.864208     -4.142938      0.106602
  H      -1.402221     -5.716448      1.028929
  H      -2.737112     -6.261083     -0.010761
  C      -1.947003     -2.599752      2.197594
  C      -0.691624     -2.651542      1.536960
  C       0.352039     -1.805513      1.868091
  C       0.183094     -0.850317      2.881080
  C      -1.034568     -0.755266      3.529201
  C      -2.126358     -1.599628      3.217452
  C      -3.383121     -1.483692      3.921116
  O      -4.234756     -2.477145      3.929546
  C      -3.846236     -0.321859      4.648918
  F      -5.005105     -0.609584      5.325062
  S      -3.295412      1.224060      4.721510
  C      -7.102168     -5.506196      3.109762
  C      -7.852061     -6.481106      3.809421
  C      -9.161238     -6.247200      4.199135
  C      -9.790879     -5.029952      3.897703
  C      -9.097690     -4.067572      3.184072
  C      -7.763345     -4.275368      2.768730
  C      -7.034727     -3.275865      2.014532
  O      -5.763571     -3.263304      2.002941
  C      -7.675916     -2.238027      1.190896
  F      -8.972236     -2.531365      0.864453
  S      -6.987488     -0.872781      0.632013
  C      -2.592798     -4.177591      5.628434
  C      -1.286104     -3.869099      6.068700
  C      -1.071487     -3.080420      7.190666
  C      -2.154101     -2.580038      7.925722
  C      -3.444377     -2.926011      7.554714
  C      -3.697880     -3.744155      6.434759
  C      -5.049216     -4.186488      6.118210
  O      -5.411884     -4.506440      4.923540
  C      -6.064934     -4.392539      7.144495
  F      -7.305142     -4.524641      6.584084
  S      -5.905943     -4.591435      8.764834
  H      -0.511803     -3.413370      0.780109
  H       1.308715     -1.903894      1.352114
  H       1.004012     -0.191371      3.166299
  H      -1.167918     -0.016279      4.315080
  H      -7.372716     -7.412958      4.105821
  H      -9.693047     -7.010351      4.770380
  H     -10.811110     -4.836459      4.229528
  H      -9.582084     -3.120565      2.955468
  H      -0.430649     -4.190516      5.476090
  H      -0.049192     -2.823497      7.474147
  H      -1.989811     -1.922307      8.779726
  H      -4.291596     -2.548354      8.122613
  N      -5.883284     -4.807153     -0.324524
  N      -6.722094     -5.215708     -0.919052
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.827239359973
  N      -2.961339     -3.501779      1.881534
  C      -2.927151     -4.195818      0.577743
  C      -2.471922     -5.623305      0.867394
  N      -3.241267     -6.136871      2.043575
  C      -4.248841     -7.147729      1.637913
  C      -5.364594     -7.122794      2.656422
  N      -5.786717     -5.730983      2.737262
  Mo     -4.297398     -4.277768      3.170379
  N      -2.806328     -4.835306      4.435672
  C      -1.704061     -5.610035      3.879733
  C      -2.322790     -6.720195      3.058701
  H      -1.086445     -6.052394      4.676296
  H      -1.047481     -4.977104      3.255398
  H      -2.913924     -7.360675      3.727355
  H      -1.564044     -7.344485      2.559254
  H      -6.193511     -7.758415      2.306973
  H      -5.034768     -7.529205      3.632159
  H      -4.661078     -6.837011      0.670459
  H      -3.779579     -8.138943      1.526818
  H      -2.169542     -3.722452     -0.059051
  H      -3.893448     -4.168362      0.108555
  H      -1.393992     -5.676704      1.058994
  H      -2.697303     -6.268240      0.004141
  C      -1.958439     -2.595746      2.186766
  C      -0.714069     -2.634816      1.504927
  C       0.334017     -1.793101      1.833722
  C       0.181319     -0.856864      2.866799
  C      -1.027240     -0.771349      3.532937
  C      -2.125228     -1.607738      3.220811
  C      -3.375240     -1.490838      3.935905
  O      -4.239196     -2.473729      3.939964
  C      -3.820728     -0.331888      4.680721
  F      -4.970872     -0.618703      5.372016
  S      -3.249631      1.205484      4.775259
  C      -7.096264     -5.500489      3.105835
  C      -7.848568     -6.471951      3.807133
  C      -9.157863     -6.234068      4.194238
  C      -9.784168     -5.016281      3.888129
  C      -9.088369     -4.057757      3.171701
  C      -7.754038     -4.269882      2.758534
  C      -7.023027     -3.276525      1.997751
  O      -5.751990     -3.265204      1.986835
  C      -7.663717     -2.245663      1.164498
  F      -8.960009     -2.542369      0.840274
  S      -6.975256     -0.885543      0.593924
  C      -2.595084     -4.174803      5.637602
  C      -1.289374     -3.863251      6.077776
  C      -1.076590     -3.077519      7.202325
  C      -2.160489     -2.582906      7.938914
  C      -3.449971     -2.930940      7.566515
  C      -3.701290     -3.746541      6.444415
  C      -5.051931     -4.190369      6.125378
  O      -5.411516     -4.508231      4.929051
  C      -6.068595     -4.400410      7.149254
  F      -7.307419     -4.536516      6.586376
  S      -5.911678     -4.602724      8.769676
  H      -0.544470     -3.382665      0.732023
  H       1.282030     -1.881083      1.300125
  H       1.007279     -0.204425      3.152551
  H      -1.148186     -0.045261      4.332751
  H      -7.371054     -7.403783      4.106743
  H      -9.692209     -6.994054      4.767370
  H     -10.804405     -4.819501      4.218150
  H      -9.570660     -3.110642      2.938974
  H      -0.433229     -4.178949      5.483078
  H      -0.055009     -2.817876      7.486010
  H      -1.998043     -1.927498      8.795037
  H      -4.298303     -2.557074      8.135271
  N      -5.946438     -4.843841     -0.360224
  N      -6.787976     -5.254373     -0.948331
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.828698260134
  N      -2.974388     -3.498117      1.881062
  C      -2.949986     -4.200403      0.583474
  C      -2.463096     -5.615665      0.881441
  N      -3.231406     -6.139650      2.054076
  C      -4.239827     -7.145890      1.641689
  C      -5.360200     -7.120816      2.655473
  N      -5.780152     -5.728189      2.738009
  Mo     -4.295177     -4.278091      3.177993
  N      -2.805392     -4.830854      4.442171
  C      -1.700723     -5.606040      3.889942
  C      -2.314069     -6.720127      3.069593
  H      -1.084095     -6.044071      4.689507
  H      -1.044173     -4.973265      3.265244
  H      -2.904131     -7.363090      3.736970
  H      -1.550701     -7.341258      2.572843
  H      -6.189446     -7.753733      2.301982
  H      -5.034650     -7.529053      3.631883
  H      -4.647384     -6.830767      0.673479
  H      -3.773310     -8.138289      1.529533
  H      -2.214206     -3.716499     -0.071452
  H      -3.921541     -4.194890      0.113068
  H      -1.387562     -5.634265      1.092041
  H      -2.654488     -6.273864      0.019925
  C      -1.970235     -2.590688      2.176308
  C      -0.737730     -2.616541      1.472821
  C       0.314541     -1.778441      1.798031
  C       0.178812     -0.861062      2.850196
  C      -1.019985     -0.785419      3.534890
  C      -2.124082     -1.614421      3.223918
  C      -3.366968     -1.497852      3.951504
  O      -4.240946     -2.472013      3.951953
  C      -3.797657     -0.342813      4.712187
  F      -4.948481     -0.626620      5.403645
  S      -3.217032      1.190224      4.818033
  C      -7.090505     -5.494352      3.102016
  C      -7.846589     -6.462668      3.803195
  C      -9.155744     -6.219798      4.187715
  C      -9.777252     -5.000274      3.878689
  C      -9.077782     -4.045533      3.160674
  C      -7.743694     -4.262908      2.749532
  C      -7.009545     -3.276227      1.982314
  O      -5.738585     -3.265833      1.973076
  C      -7.649045     -2.253052      1.137974
  F      -8.946063     -2.551695      0.817960
  S      -6.958831     -0.900652      0.552159
  C      -2.596730     -4.173780      5.647573
  C      -1.291766     -3.859902      6.087444
  C      -1.080115     -3.078346      7.215271
  C      -2.164896     -2.590056      7.954247
  C      -3.453830     -2.939256      7.580491
  C      -3.703717     -3.751052      6.455475
  C      -5.054009     -4.195407      6.133934
  O      -5.410622     -4.511058      4.935905
  C      -6.071804     -4.408802      7.155205
  F      -7.309466     -4.547126      6.589842
  S      -5.918162     -4.611006      8.776279
  H      -0.578997     -3.350207      0.684301
  H       1.253200     -1.855581      1.246483
  H       1.009869     -0.214824      3.135361
  H      -1.128221     -0.072274      4.348028
  H      -7.372036     -7.395429      4.104787
  H      -9.693635     -6.976819      4.761485
  H     -10.797196     -4.799457      4.207288
  H      -9.556880     -3.097493      2.925008
  H      -0.435262     -4.169475      5.490065
  H      -0.059094     -2.816579      7.499087
  H      -2.003739     -1.937928      8.813079
  H      -4.302856     -2.569315      8.150758
  N      -6.006786     -4.883680     -0.392343
  N      -6.850460     -5.296453     -0.974624
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.829934085386
  N      -2.987060     -3.494808      1.881402
  C      -2.971371     -4.205648      0.590814
  C      -2.454662     -5.608212      0.896082
  N      -3.221904     -6.142274      2.064747
  C      -4.231263     -7.143666      1.645589
  C      -5.356358     -7.118734      2.654418
  N      -5.774173     -5.725523      2.739555
  Mo     -4.292836     -4.279014      3.186602
  N      -2.804371     -4.827421      4.449186
  C      -1.697441     -5.603158      3.900860
  C      -2.305830     -6.720467      3.080574
  H      -1.082217     -6.037625      4.703291
  H      -1.040398     -4.970233      3.276648
  H      -2.895074     -7.365929      3.746395
  H      -1.538142     -7.338530      2.586247
  H      -6.185761     -7.748918      2.296479
  H      -5.035006     -7.529310      3.631246
  H      -4.633202     -6.825204      0.675992
  H      -3.767693     -8.137484      1.533369
  H      -2.260473     -3.712123     -0.084806
  H      -3.948047     -4.222760      0.119900
  H      -1.383318     -5.590537      1.127130
  H      -2.610168     -6.278421      0.036676
  C      -1.982504     -2.584966      2.165833
  C      -0.762733     -2.596672      1.440296
  C       0.292993     -1.760755      1.760454
  C       0.174328     -0.861404      2.830073
  C      -1.014052     -0.796379      3.533755
  C      -2.123276     -1.619926      3.226125
  C      -3.358460     -1.504888      3.967027
  O      -4.240150     -2.472245      3.965043
  C      -3.775165     -0.354565      4.743271
  F      -4.923464     -0.637414      5.439445
  S      -3.181521      1.172219      4.865435
  C      -7.085146     -5.488091      3.098099
  C      -7.846384     -6.453478      3.797478
  C      -9.155246     -6.204719      4.179088
  C      -9.770615     -4.982450      3.868447
  C      -9.066408     -4.031510      3.149971
  C      -7.732678     -4.254971      2.741076
  C      -6.994645     -3.275578      1.967540
  O      -5.723710     -3.265533      1.961244
  C      -7.632220     -2.261449      1.110008
  F      -8.930594     -2.560769      0.795952
  S      -6.938485     -0.919815      0.504735
  C      -2.598299     -4.173793      5.658065
  C      -1.293996     -3.857606      6.097438
  C      -1.083182     -3.080383      7.228552
  C      -2.168700     -2.598440      7.970067
  C      -3.457157     -2.948492      7.595038
  C      -3.705965     -3.756458      6.467167
  C      -5.056068     -4.200999      6.143320
  O      -5.409661     -4.514809      4.943682
  C      -6.075296     -4.417060      7.161757
  F      -7.311370     -4.559159      6.593340
  S      -5.926064     -4.618185      8.783698
  H      -0.615309     -3.315904      0.636608
  H       1.221596     -1.826252      1.190666
  H       1.009949     -0.220049      3.112947
  H      -1.110082     -0.095367      4.358901
  H      -7.375864     -7.387981      4.100121
  H      -9.697703     -6.958913      4.752285
  H     -10.790069     -4.776927      4.195697
  H      -9.541309     -3.081876      2.912163
  H      -0.437286     -4.160882      5.497200
  H      -0.062690     -2.816578      7.512367
  H      -2.008611     -1.949683      8.831599
  H      -4.306631     -2.582172      8.166893
  N      -6.064344     -4.926260     -0.421133
  N      -6.909696     -5.341236     -0.998059
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.830919001347
  N      -2.998856     -3.491497      1.882683
  C      -2.990650     -4.210984      0.599724
  C      -2.446484     -5.600894      0.911087
  N      -3.212726     -6.144387      2.075401
  C      -4.223263     -7.140513      1.649271
  C      -5.352888     -7.116207      2.653187
  N      -5.768658     -5.722681      2.741992
  Mo     -4.290095     -4.280222      3.196374
  N      -2.802870     -4.825080      4.456849
  C      -1.694153     -5.602186      3.912922
  C      -2.298345     -6.721400      3.091507
  H      -1.081493     -6.034581      4.718286
  H      -1.035180     -4.969212      3.290679
  H      -2.887422     -7.369290      3.755228
  H      -1.526853     -7.336705      2.599286
  H      -6.182307     -7.743650      2.290521
  H      -5.035396     -7.529717      3.630050
  H      -4.618901     -6.819352      0.677854
  H      -3.762950     -8.135980      1.537525
  H      -2.307449     -3.709136     -0.098668
  H      -3.972267     -4.251044      0.129199
  H      -1.381034     -5.546976      1.163323
  H      -2.565386     -6.281520      0.054231
  C      -1.994872     -2.578208      2.155537
  C      -0.788887     -2.575071      1.407428
  C       0.269718     -1.740095      1.720951
  C       0.168490     -0.857916      2.806491
  C      -1.008707     -0.803979      3.529691
  C      -2.122388     -1.623661      3.227551
  C      -3.349459     -1.511496      3.982602
  O      -4.236403     -2.474279      3.979209
  C      -3.754645     -0.366572      4.773145
  F      -4.902647     -0.648862      5.470219
  S      -3.150872      1.154897      4.910475
  C      -7.080017     -5.481561      3.094400
  C      -7.847597     -6.444316      3.790359
  C      -9.156021     -6.188953      4.168798
  C      -9.764091     -4.963024      3.857885
  C      -9.054237     -4.015803      3.140061
  C      -7.720980     -4.246024      2.733570
  C      -6.978430     -3.274462      1.953858
  O      -5.707471     -3.263923      1.951837
  C      -7.613399     -2.271089      1.080805
  F      -8.913789     -2.569752      0.774635
  S      -6.914449     -0.943672      0.451444
  C      -2.599349     -4.175153      5.669305
  C      -1.295588     -3.857315      6.108339
  C      -1.085224     -3.085138      7.243120
  C      -2.171285     -2.609663      7.987490
  C      -3.459383     -2.959811      7.611014
  C      -3.707566     -3.763167      6.479818
  C      -5.057717     -4.207155      6.153711
  O      -5.408404     -4.519249      4.952541
  C      -6.078673     -4.425137      7.169162
  F      -7.312991     -4.571103      6.597343
  S      -5.934948     -4.623607      8.792220
  H      -0.653456     -3.280122      0.589391
  H       1.187531     -1.793528      1.132715
  H       1.008313     -0.220360      3.085464
  H      -1.092689     -0.114334      4.365643
  H      -7.382031     -7.381303      4.093084
  H      -9.703937     -6.940534      4.740219
  H     -10.782874     -4.752280      4.183896
  H      -9.524058     -3.063968      2.900925
  H      -0.438827     -4.154276      5.505115
  H      -0.065175     -2.819853      7.527070
  H      -2.011963     -1.964908      8.852116
  H      -4.309042     -2.597022      8.184745
  N      -6.118849     -4.969996     -0.446358
  N      -6.965748     -5.386808     -1.018380
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.831644460342
  N      -3.008942     -3.488480      1.884973
  C      -3.006429     -4.216508      0.610243
  C      -2.438080     -5.594306      0.926710
  N      -3.204119     -6.146246      2.085979
  C      -4.216193     -7.136455      1.652395
  C      -5.350093     -7.113256      2.651466
  N      -5.763733     -5.719648      2.745088
  Mo     -4.286767     -4.281878      3.207294
  N      -2.800922     -4.824587      4.465409
  C      -1.691337     -5.605014      3.927027
  C      -2.292595     -6.723978      3.102618
  H      -1.083587     -6.037747      4.735820
  H      -1.027539     -4.972945      3.308999
  H      -2.882864     -7.373972      3.763295
  H      -1.518101     -7.337260      2.612276
  H      -6.179447     -7.737862      2.283776
  H      -5.036134     -7.530436      3.627917
  H      -4.604783     -6.812953      0.678853
  H      -3.759620     -8.133862      1.541426
  H      -2.353346     -3.708042     -0.112437
  H      -3.992558     -4.279467      0.141085
  H      -1.379984     -5.506142      1.200803
  H      -2.520239     -6.283631      0.072763
  C      -2.007034     -2.570129      2.145372
  C      -0.815790     -2.551401      1.374419
  C       0.244293     -1.714800      1.678898
  C       0.159886     -0.847463      2.777689
  C      -1.005266     -0.805572      3.521001
  C      -2.121675     -1.624740      3.227558
  C      -3.339973     -1.517507      3.997780
  O      -4.229051     -2.478650      3.994268
  C      -3.735863     -0.379011      4.801992
  F      -4.883636     -0.662191      5.499340
  S      -3.122159      1.136754      4.956721
  C      -7.075182     -5.474750      3.090887
  C      -7.850225     -6.435177      3.781832
  C      -9.157984     -6.172489      4.157048
  C      -9.757608     -4.941968      3.847388
  C      -9.041274     -3.998349      3.131315
  C      -7.708668     -4.236014      2.727227
  C      -6.960956     -3.272822      1.941557
  O      -5.689932     -3.260839      1.945259
  C      -7.592543     -2.282215      1.050485
  F      -8.895791     -2.578304      0.754586
  S      -6.886433     -0.973275      0.391757
  C      -2.599895     -4.178405      5.681370
  C      -1.296563     -3.859902      6.120497
  C      -1.086324     -3.093026      7.259018
  C      -2.172804     -2.623302      8.005976
  C      -3.460663     -2.972539      7.627696
  C      -3.708623     -3.771056      6.493096
  C      -5.059057     -4.213758      6.164811
  O      -5.406962     -4.524438      4.962259
  C      -6.082136     -4.432837      7.177130
  F      -7.314449     -4.582807      6.601434
  S      -5.945141     -4.627643      8.801450
  H      -0.692410     -3.243754      0.543946
  H       1.150633     -1.755653      1.072166
  H       1.002756     -0.211214      3.050312
  H      -1.078214     -0.125382      4.365693
  H      -7.390498     -7.375392      4.083546
  H      -9.712189     -6.921690      4.725487
  H     -10.775477     -4.725501      4.172432
  H      -9.505112     -3.043676      2.891818
  H      -0.439837     -4.151231      5.514582
  H      -0.066616     -2.827078      7.543422
  H      -2.014003     -1.982782      8.873798
  H      -4.310268     -2.612607      8.203160
  N      -6.169117     -5.013823     -0.468153
  N      -7.017468     -5.431742     -1.035937
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.832137390327
  N      -3.015928     -3.485799      1.888128
  C      -3.016235     -4.222045      0.622115
  C      -2.428688     -5.588984      0.943180
  N      -3.196483     -6.147806      2.096090
  C      -4.210470     -7.131278      1.654169
  C      -5.348384     -7.109770      2.648477
  N      -5.759653     -5.716301      2.748463
  Mo     -4.282555     -4.283973      3.219043
  N      -2.798456     -4.826862      4.474840
  C      -1.689522     -5.613849      3.943843
  C      -2.289937     -6.729281      3.113843
  H      -1.090515     -6.050491      4.757022
  H      -1.016148     -4.984833      3.333150
  H      -2.883636     -7.380631      3.770112
  H      -1.513755     -7.341910      2.625153
  H      -6.177646     -7.731308      2.275373
  H      -5.037631     -7.531678      3.623914
  H      -4.591065     -6.805541      0.678282
  H      -3.758206     -8.130924      1.544057
  H      -2.394802     -3.709281     -0.125591
  H      -4.006221     -4.307110      0.155497
  H      -1.378955     -5.470993      1.239731
  H      -2.474767     -6.285143      0.092293
  C      -2.018228     -2.560170      2.135436
  C      -0.841940     -2.525995      1.342405
  C       0.217439     -1.684216      1.634966
  C       0.147851     -0.827550      2.743012
  C      -1.004640     -0.798486      3.506516
  C      -2.121311     -1.621628      3.225514
  C      -3.330373     -1.522341      4.011828
  O      -4.217184     -2.486032      4.009303
  C      -3.721477     -0.391855      4.828794
  F      -4.870188     -0.678698      5.523430
  S      -3.101395      1.119144      5.003199
  C      -7.070774     -5.467649      3.087761
  C      -7.854124     -6.426189      3.772198
  C      -9.160775     -6.155526      4.144878
  C      -9.750947     -4.919419      3.838657
  C      -9.027651     -3.979117      3.125339
  C      -7.696082     -4.224830      2.722985
  C      -6.942792     -3.270356      1.931688
  O      -5.671714     -3.255764      1.942545
  C      -7.570316     -2.294846      1.020104
  F      -8.877608     -2.585440      0.737902
  S      -6.854781     -1.010084      0.325335
  C      -2.599670     -4.184148      5.693894
  C      -1.296576     -3.866840      6.133930
  C      -1.086024     -3.105329      7.276108
  C      -2.172757     -2.639676      8.024929
  C      -3.460589     -2.986392      7.644286
  C      -3.708856     -3.779894      6.506268
  C      -5.059866     -4.220326      6.175951
  O      -5.405357     -4.530187      4.972325
  C      -6.085431     -4.439054      7.185253
  F      -7.315599     -4.593016      6.605443
  S      -5.956130     -4.628623      8.810952
  H      -0.729683     -3.208737      0.502706
  H       1.112099     -1.712613      1.010463
  H       0.991895     -0.189045      3.006437
  H      -1.068410     -0.124711      4.357032
  H      -7.400988     -7.370421      4.071362
  H      -9.721821     -6.902699      4.709204
  H     -10.767471     -4.696815      4.163619
  H      -9.484658     -3.020887      2.886957
  H      -0.439957     -4.154392      5.526149
  H      -0.066462     -2.840258      7.561613
  H      -2.014121     -2.003529      8.895959
  H      -4.309859     -2.628142      8.221131
  N      -6.212923     -5.055298     -0.486555
  N      -7.062828     -5.472954     -1.051230
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.832464164597
  N      -3.016437     -3.484701      1.891126
  C      -3.014994     -4.226942      0.632089
  C      -2.419220     -5.587383      0.957213
  N      -3.191961     -6.149157      2.103071
  C      -4.207895     -7.126170      1.652876
  C      -5.348896     -7.106781      2.643436
  N      -5.757722     -5.713574      2.750705
  Mo     -4.278072     -4.286462      3.228327
  N      -2.796080     -4.832898      4.482951
  C      -1.689845     -5.629517      3.960232
  C      -2.292612     -6.737873      3.122726
  H      -1.103007     -6.073726      4.778280
  H      -1.002479     -5.006454      3.359075
  H      -2.892284     -7.388872      3.773829
  H      -1.517083     -7.352263      2.635170
  H      -6.178216     -7.725269      2.265353
  H      -5.040580     -7.534162      3.617239
  H      -4.581005     -6.797912      0.675077
  H      -3.759654     -8.127821      1.542870
  H      -2.417557     -3.713407     -0.134624
  H      -4.007087     -4.327327      0.168928
  H      -1.376006     -5.452817      1.271445
  H      -2.439381     -6.287196      0.108372
  C      -2.024729     -2.550553      2.128274
  C      -0.858596     -2.505210      1.320594
  C       0.196785     -1.654443      1.601022
  C       0.133787     -0.799312      2.710466
  C      -1.009227     -0.780964      3.488450
  C      -2.121918     -1.613920      3.221333
  C      -3.323506     -1.524881      4.020645
  O      -4.202904     -2.495837      4.019424
  C      -3.716009     -0.403116      4.847607
  F      -4.866795     -0.696298      5.536535
  S      -3.093700      1.104446      5.042676
  C      -7.068146     -5.462150      3.085967
  C      -7.858299     -6.419964      3.764027
  C      -9.163466     -6.142797      4.136380
  C      -9.745713     -4.901397      3.835772
  C      -9.017102     -3.963038      3.125481
  C      -7.686918     -4.215278      2.722989
  C      -6.929299     -3.267383      1.927974
  O      -5.658293     -3.249704      1.945556
  C      -7.553227     -2.305672      0.998539
  F      -8.865278     -2.587772      0.731710
  S      -6.827882     -1.046562      0.267832
  C      -2.598459     -4.191738      5.703366
  C      -1.295303     -3.877950      6.145297
  C      -1.084100     -3.119379      7.289402
  C      -2.170897     -2.653089      8.037699
  C      -3.458970     -2.995891      7.654602
  C      -3.707990     -3.786765      6.514919
  C      -5.059745     -4.224564      6.183452
  O      -5.404005     -4.535139      4.979599
  C      -6.087542     -4.440824      7.190902
  F      -7.316120     -4.597214      6.608005
  S      -5.964743     -4.624484      8.817728
  H      -0.751849     -3.185144      0.478174
  H       1.083317     -1.673887      0.964720
  H       0.975453     -0.153617      2.963587
  H      -1.069880     -0.107245      4.339224
  H      -7.410720     -7.368112      4.059116
  H      -9.729892     -6.889007      4.696518
  H     -10.760609     -4.673904      4.162250
  H      -9.468206     -3.001317      2.890000
  H      -0.438760     -4.166346      5.537850
  H      -0.064381     -2.857107      7.576660
  H      -2.012035     -2.019275      8.910382
  H      -4.307710     -2.636354      8.231266
  N      -6.238746     -5.081599     -0.498325
  N      -7.090311     -5.496382     -1.062244
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.832804452767
  N      -3.010404     -3.485174      1.893730
  C      -3.002827     -4.232212      0.640309
  C      -2.408025     -5.589615      0.970321
  N      -3.189765     -6.150326      2.107807
  C      -4.207922     -7.120327      1.647983
  C      -5.351725     -7.103913      2.635190
  N      -5.757637     -5.711051      2.751468
  Mo     -4.272822     -4.289391      3.235353
  N      -2.793579     -4.843117      4.490119
  C      -1.692151     -5.652425      3.976960
  C      -2.300401     -6.750258      3.130191
  H      -1.121303     -6.107423      4.800626
  H      -0.986354     -5.038597      3.387620
  H      -2.908829     -7.398980      3.775246
  H      -1.527967     -7.368998      2.643302
  H      -6.181349     -7.718720      2.251711
  H      -5.045778     -7.538407      3.606550
  H      -4.573602     -6.787842      0.668890
  H      -3.763651     -8.123732      1.536378
  H      -2.422217     -3.720738     -0.140436
  H      -3.995990     -4.342715      0.182185
  H      -1.369239     -5.449950      1.298388
  H      -2.411131     -6.291108      0.122527
  C      -2.026613     -2.541070      2.123602
  C      -0.865669     -2.488347      1.308236
  C       0.182551     -1.625232      1.576499
  C       0.117860     -0.763317      2.680308
  C      -1.018938     -0.753798      3.467457
  C      -2.123629     -1.601728      3.215353
  C      -3.319339     -1.525689      4.025134
  O      -4.186179     -2.508434      4.023987
  C      -3.720398     -0.414576      4.860670
  F      -4.874977     -0.718369      5.539105
  S      -3.101502      1.091013      5.080981
  C      -7.067090     -5.457919      3.085302
  C      -7.862356     -6.416428      3.756945
  C      -9.165661     -6.134466      4.131458
  C      -9.741647     -4.888057      3.838989
  C      -9.009583     -3.950072      3.131956
  C      -7.681189     -4.207179      2.727131
  C      -6.920509     -3.263743      1.930054
  O      -5.649807     -3.242539      1.954159
  C      -7.541377     -2.314962      0.984806
  F      -8.859273     -2.584507      0.736503
  S      -6.805556     -1.084812      0.215699
  C      -2.595968     -4.201083      5.709877
  C      -1.292439     -3.893503      6.154798
  C      -1.080206     -3.134811      7.298688
  C      -2.166788     -2.662255      8.043563
  C      -3.455428     -2.999636      7.658003
  C      -3.705688     -3.790796      6.518783
  C      -5.058378     -4.225570      6.187206
  O      -5.402724     -4.539026      4.984200
  C      -6.087923     -4.436540      7.194351
  F      -7.315639     -4.594165      6.609848
  S      -5.969597     -4.613058      8.822036
  H      -0.758478     -3.171778      0.468990
  H       1.064749     -1.639227      0.934082
  H       0.953634     -0.105911      2.922364
  H      -1.082325     -0.074556      4.313607
  H      -7.419154     -7.368437      4.046091
  H      -9.735874     -6.880949      4.687291
  H     -10.754601     -4.657077      4.168829
  H      -9.455819     -2.984945      2.901327
  H      -0.435978     -4.188355      5.550336
  H      -0.060001     -2.877544      7.588449
  H      -2.007223     -2.028181      8.915924
  H      -4.303428     -2.635253      8.232593
  N      -6.252724     -5.093605     -0.506947
  N      -7.107161     -5.501314     -1.071877
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.833198213893
  N      -2.996837     -3.488165      1.896108
  C      -2.978901     -4.239159      0.646643
  C      -2.393999     -5.596832      0.983095
  N      -3.189494     -6.151516      2.111105
  C      -4.210337     -7.113449      1.639512
  C      -5.357084     -7.101116      2.623296
  N      -5.759355     -5.708571      2.750327
  Mo     -4.266496     -4.292876      3.239852
  N      -2.791000     -4.858444      4.496436
  C      -1.696109     -5.681743      3.993166
  C      -2.312737     -6.766632      3.136650
  H      -1.143303     -6.149185      4.822523
  H      -0.970067     -5.079426      3.416379
  H      -2.932280     -7.410837      3.775331
  H      -1.546111     -7.392322      2.649657
  H      -6.187281     -7.711125      2.233342
  H      -5.054195     -7.544882      3.591372
  H      -4.568976     -6.773421      0.660365
  H      -3.769871     -8.118105      1.523262
  H      -2.406077     -3.732142     -0.142192
  H      -3.972922     -4.354767      0.196064
  H      -1.356863     -5.464565      1.320126
  H      -2.390990     -6.298512      0.135148
  C      -2.022656     -2.533258      2.122678
  C      -0.860787     -2.477258      1.307977
  C       0.176584     -1.598021      1.564165
  C       0.099758     -0.719750      2.653922
  C      -1.035081     -0.716970      3.443809
  C      -2.126534     -1.586090      3.208144
  C      -3.317958     -1.525494      4.025308
  O      -4.167599     -2.523898      4.021411
  C      -3.732944     -0.427617      4.869369
  F      -4.894984     -0.743887      5.529970
  S      -3.119102      1.074979      5.123085
  C      -7.067771     -5.455245      3.085610
  C      -7.865649     -6.416306      3.751078
  C      -9.166963     -6.132298      4.130227
  C      -9.739313     -4.881735      3.848053
  C      -9.006317     -3.942064      3.144407
  C      -7.679892     -4.201402      2.735108
  C      -6.917604     -3.259607      1.937961
  O      -5.647539     -3.234753      1.968390
  C      -7.536152     -2.321889      0.979991
  F      -8.861073     -2.573643      0.753995
  S      -6.789473     -1.124081      0.170315
  C      -2.592087     -4.212288      5.713064
  C      -1.287949     -3.913385      6.162132
  C      -1.074475     -3.150167      7.302782
  C      -2.160464     -2.664554      8.040480
  C      -3.449958     -2.995402      7.652711
  C      -3.701814     -3.791178      6.517063
  C      -5.055634     -4.222541      6.186538
  O      -5.401654     -4.541426      4.985746
  C      -6.086190     -4.425183      7.195321
  F      -7.314146     -4.581393      6.611229
  S      -5.969131     -4.594386      8.823369
  H      -0.745719     -3.171027      0.478550
  H       1.059223     -1.610429      0.922356
  H       0.925126     -0.045155      2.883887
  H      -1.108713     -0.025706      4.279465
  H      -7.424952     -7.371752      4.032549
  H      -9.738763     -6.880636      4.681834
  H     -10.750237     -4.649408      4.182939
  H      -9.449449     -2.974024      2.920402
  H      -0.431610     -4.221099      5.563924
  H      -0.053519     -2.899847      7.595695
  H      -1.999732     -2.026327      8.909583
  H      -4.297050     -2.621638      8.222505
  N      -6.260592     -5.088278     -0.515380
  N      -7.120893     -5.481523     -1.082116
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.833530977369
  N      -2.982320     -3.492620      1.897519
  C      -2.955539     -4.245592      0.648558
  C      -2.382378     -5.605753      0.990498
  N      -3.189984     -6.152207      2.113020
  C      -4.212869     -7.108352      1.632418
  C      -5.361633     -7.099480      2.613823
  N      -5.761275     -5.706912      2.747787
  Mo     -4.261617     -4.294935      3.240028
  N      -2.789521     -4.871289      4.499652
  C      -1.698811     -5.701305      4.000914
  C      -2.322054     -6.778794      3.140410
  H      -1.154573     -6.174919      4.832664
  H      -0.963802     -5.105159      3.428882
  H      -2.949301     -7.418306      3.776026
  H      -1.560973     -7.410520      2.652735
  H      -6.192273     -7.705631      2.218778
  H      -5.061758     -7.550341      3.579550
  H      -4.568671     -6.759495      0.655136
  H      -3.774130     -8.112921      1.509439
  H      -2.377846     -3.742456     -0.138574
  H      -3.951170     -4.360856      0.205558
  H      -1.343601     -5.488314      1.327318
  H      -2.387122     -6.306598      0.141514
  C      -2.014459     -2.531660      2.126187
  C      -0.846674     -2.478196      1.319428
  C       0.182202     -1.587429      1.568669
  C       0.089913     -0.691943      2.642990
  C      -1.047792     -0.690312      3.428699
  C      -2.128369     -1.575296      3.203322
  C      -3.319083     -1.524541      4.021749
  O      -4.156423     -2.533980      4.012363
  C      -3.746966     -0.436902      4.871112
  F      -4.916700     -0.762882      5.514047
  S      -3.137571      1.062429      5.154704
  C      -7.069393     -5.455327      3.086143
  C      -7.865627     -6.419765      3.748958
  C      -9.166094     -6.138106      4.132456
  C      -9.739853     -4.886728      3.856852
  C      -9.009227     -3.943936      3.154954
  C      -7.683679     -4.201105      2.741669
  C      -6.921947     -3.257082      1.946498
  O      -5.652562     -3.230609      1.980076
  C      -7.540127     -2.322192      0.985755
  F      -8.869972     -2.559619      0.775219
  S      -6.787549     -1.142499      0.154222
  C      -2.589046     -4.219472      5.712107
  C      -1.284483     -3.926817      6.164388
  C      -1.070404     -3.156704      7.300176
  C      -2.155702     -2.658231      8.030521
  C      -3.445864     -2.985105      7.641955
  C      -3.698635     -3.787507      6.511172
  C      -5.053126     -4.216701      6.182057
  O      -5.401483     -4.540698      4.983764
  C      -6.083423     -4.412097      7.193709
  F      -7.312661     -4.564499      6.612035
  S      -5.962918     -4.578587      8.821262
  H      -0.721021     -3.183806      0.501597
  H       1.069516     -1.603061      0.933435
  H       0.906059     -0.003716      2.865318
  H      -1.132911      0.012686      4.253593
  H      -7.423859     -7.376171      4.025398
  H      -9.736172     -6.889063      4.682256
  H     -10.749921     -4.656255      4.195527
  H      -9.453078     -2.975234      2.935700
  H      -0.428198     -4.246635      5.572478
  H      -0.048890     -2.911256      7.595187
  H      -1.993921     -2.013877      8.894824
  H      -4.292479     -2.602332      8.206490
  N      -6.269039     -5.068085     -0.524356
  N      -7.137880     -5.443162     -1.091153
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.833835538431
  N      -2.969462     -3.498091      1.898674
  C      -2.937327     -4.252949      0.648789
  C      -2.371231     -5.614891      0.996016
  N      -3.188591     -6.153494      2.116281
  C      -4.213222     -7.104867      1.628220
  C      -5.363440     -7.098725      2.607619
  N      -5.761243     -5.705671      2.744702
  Mo     -4.256978     -4.295870      3.238185
  N      -2.788650     -4.880803      4.502402
  C      -1.699662     -5.712491      4.005001
  C      -2.326818     -6.787918      3.144884
  H      -1.156144     -6.186503      4.836999
  H      -0.965021     -5.117625      3.431168
  H      -2.959439     -7.422965      3.779506
  H      -1.569925     -7.424607      2.657376
  H      -6.194309     -7.701785      2.208350
  H      -5.066961     -7.554325      3.572196
  H      -4.569450     -6.745519      0.654536
  H      -3.775034     -8.108421      1.496611
  H      -2.349343     -3.752072     -0.131476
  H      -3.936028     -4.368153      0.213861
  H      -1.330193     -5.510715      1.328574
  H      -2.388784     -6.315263      0.146527
  C      -2.005203     -2.534204      2.130587
  C      -0.831246     -2.485246      1.332673
  C       0.191486     -1.586047      1.576583
  C       0.085222     -0.675130      2.636588
  C      -1.056204     -0.672369      3.416910
  C      -2.128299     -1.569420      3.199455
  C      -3.319018     -1.523628      4.017176
  O      -4.150900     -2.538362      4.000909
  C      -3.752582     -0.443901      4.872736
  F      -4.931353     -0.772587      5.498486
  S      -3.139697      1.048602      5.184583
  C      -7.069866     -5.456608      3.085766
  C      -7.861992     -6.424303      3.748748
  C      -9.162656     -6.147527      4.135149
  C      -9.740889     -4.897789      3.861859
  C      -9.014298     -3.951595      3.160309
  C      -7.688560     -4.203912      2.744479
  C      -6.928584     -3.255756      1.951926
  O      -5.659773     -3.229951      1.985760
  C      -7.547630     -2.317425      0.995519
  F      -8.880207     -2.546139      0.792690
  S      -6.793159     -1.141698      0.159355
  C      -2.587751     -4.223449      5.711143
  C      -1.283239     -3.934158      6.166296
  C      -1.069868     -3.157259      7.297459
  C      -2.154994     -2.648967      8.021295
  C      -3.445313     -2.974208      7.631995
  C      -3.697544     -3.782961      6.505599
  C      -5.052041     -4.211016      6.176668
  O      -5.401863     -4.538297      4.980269
  C      -6.082085     -4.402024      7.190668
  F      -7.312772     -4.547753      6.611418
  S      -5.956492     -4.571325      8.817097
  H      -0.696030     -3.201451      0.525481
  H       1.083796     -1.606104      0.948529
  H       0.893738      0.023977      2.852897
  H      -1.151224      0.040921      4.232124
  H      -7.416961     -7.379723      4.023325
  H      -9.729172     -6.900992      4.685226
  H     -10.751174     -4.670878      4.202372
  H      -9.461433     -2.983962      2.943459
  H      -0.426480     -4.262392      5.579707
  H      -0.048208     -2.914217      7.594065
  H      -1.992935     -1.998591      8.880965
  H      -4.292270     -2.584530      8.191353
  N      -6.292410     -5.043167     -0.540672
  N      -7.173326     -5.395585     -1.102819
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.834096491918
  N      -2.961585     -3.502587      1.899320
  C      -2.928824     -4.260235      0.648687
  C      -2.360489     -5.621251      1.001077
  N      -3.183565     -6.155527      2.121656
  C      -4.209589     -7.103019      1.627799
  C      -5.360867     -7.098541      2.605484
  N      -5.757833     -5.704693      2.742316
  Mo     -4.251946     -4.295710      3.236242
  N      -2.787931     -4.884950      4.506095
  C      -1.698388     -5.716123      4.009670
  C      -2.325652     -6.793361      3.151542
  H      -1.151751     -6.186538      4.841463
  H      -0.968857     -5.119578      3.431208
  H      -2.961739     -7.425315      3.785776
  H      -1.570142     -7.433052      2.666011
  H      -6.191626     -7.699700      2.203177
  H      -5.067665     -7.555890      3.570243
  H      -4.568061     -6.733557      0.658305
  H      -3.771562     -8.105306      1.487706
  H      -2.333637     -3.759214     -0.125443
  H      -3.932705     -4.379721      0.221446
  H      -1.318851     -5.520213      1.331027
  H      -2.385734     -6.322944      0.152812
  C      -1.998698     -2.537338      2.131617
  C      -0.822762     -2.491976      1.336899
  C       0.197769     -1.588837      1.575760
  C       0.085833     -0.669584      2.627967
  C      -1.056353     -0.665431      3.407285
  C      -2.125342     -1.567954      3.196078
  C      -3.315135     -1.523445      4.015047
  O      -4.149010     -2.537306      3.991563
  C      -3.747709     -0.450794      4.879745
  F      -4.933491     -0.779982      5.492593
  S      -3.126202      1.031762      5.221311
  C      -7.067537     -5.457644      3.084089
  C      -7.855606     -6.427510      3.748600
  C      -9.157248     -6.155715      4.135467
  C      -9.740398     -4.908710      3.860670
  C      -9.017360     -3.960024      3.158803
  C      -7.690553     -4.207089      2.742868
  C      -6.932736     -3.255249      1.952055
  O      -5.664264     -3.232175      1.983334
  C      -7.553363     -2.310387      1.003409
  F      -8.886129     -2.538446      0.799701
  S      -6.800329     -1.127336      0.176190
  C      -2.588698     -4.223679      5.712778
  C      -1.284842     -3.934324      6.170219
  C      -1.073670     -3.153050      7.298717
  C      -2.159597     -2.640740      8.018393
  C      -3.449375     -2.966593      7.627754
  C      -3.699376     -3.779107      6.503549
  C      -5.053172     -4.207180      6.172937
  O      -5.402282     -4.535394      4.977138
  C      -6.084005     -4.396870      7.187369
  F      -7.315131     -4.537036      6.608783
  S      -5.954822     -4.572313      8.812600
  H      -0.683591     -3.214166      0.535520
  H       1.091860     -1.612119      0.950363
  H       0.890781      0.035115      2.839680
  H      -1.154527      0.053052      4.217632
  H      -7.407092     -7.380987      4.024230
  H      -9.720352     -6.910785      4.686899
  H     -10.751741     -4.685356      4.200560
  H      -9.468522     -2.994350      2.941754
  H      -0.426890     -4.265314      5.586902
  H      -0.052394     -2.909758      7.596645
  H      -1.998415     -1.986684      8.875399
  H      -4.297617     -2.574073      8.183296
  N      -6.337333     -5.024183     -0.566566
  N      -7.234286     -5.352739     -1.118056
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.834434761415
  N      -2.960176     -3.504201      1.899899
  C      -2.928638     -4.260844      0.648617
  C      -2.358948     -5.623559      0.998783
  N      -3.178541     -6.159230      2.123174
  C      -4.204092     -7.109217      1.633425
  C      -5.354492     -7.101664      2.611848
  N      -5.752939     -5.707249      2.742212
  Mo     -4.250144     -4.295299      3.232419
  N      -2.788258     -4.879431      4.506223
  C      -1.695852     -5.707464      4.009127
  C      -2.318444     -6.790459      3.154526
  H      -1.143083     -6.171682      4.840078
  H      -0.973841     -5.106909      3.425480
  H      -2.952833     -7.422880      3.790156
  H      -1.559561     -7.428840      2.672514
  H      -6.184846     -7.705054      2.212122
  H      -5.061204     -7.553632      3.579093
  H      -4.565891     -6.742016      0.664212
  H      -3.765101     -8.111225      1.494999
  H      -2.330238     -3.757600     -0.121512
  H      -3.936989     -4.380249      0.222397
  H      -1.317592     -5.518712      1.328221
  H      -2.385415     -6.325980      0.151453
  C      -1.995866     -2.539679      2.131698
  C      -0.820253     -2.495560      1.336900
  C       0.202610     -1.595319      1.578085
  C       0.093207     -0.679342      2.633422
  C      -1.049316     -0.673812      3.412156
  C      -2.121411     -1.572083      3.197261
  C      -3.311791     -1.523145      4.014592
  O      -4.154057     -2.529687      3.990062
  C      -3.735239     -0.448383      4.882060
  F      -4.924180     -0.768194      5.493473
  S      -3.103246      1.029690      5.223033
  C      -7.063431     -5.460031      3.081980
  C      -7.850656     -6.429362      3.748181
  C      -9.153527     -6.159245      4.132334
  C      -9.738475     -4.914088      3.853435
  C      -9.015605     -3.965472      3.151363
  C      -7.687553     -4.210473      2.737809
  C      -6.931372     -3.256695      1.947827
  O      -5.662469     -3.237052      1.973280
  C      -7.553840     -2.302484      1.009591
  F      -8.882115     -2.543578      0.789740
  S      -6.807761     -1.094623      0.213392
  C      -2.591002     -4.218330      5.713677
  C      -1.287710     -3.925029      6.170151
  C      -1.078209     -3.144786      7.299729
  C      -2.165167     -2.637583      8.021260
  C      -3.454193     -2.966442      7.630417
  C      -3.702112     -3.777612      6.504925
  C      -5.054753     -4.207753      6.172201
  O      -5.400816     -4.534104      4.975067
  C      -6.086789     -4.401632      7.184392
  F      -7.317222     -4.540152      6.604173
  S      -5.958869     -4.580137      8.809619
  H      -0.682098     -3.215753      0.533463
  H       1.096407     -1.618835      0.952271
  H       0.900397      0.022003      2.847931
  H      -1.145426      0.042470      4.224808
  H      -7.401078     -7.381343      4.027199
  H      -9.715874     -6.914020      4.685001
  H     -10.751075     -4.691782      4.190378
  H      -9.468635     -3.001120      2.932052
  H      -0.428914     -4.250503      5.584936
  H      -0.057480     -2.898098      7.596906
  H      -2.005123     -1.984764      8.879409
  H      -4.303612     -2.577521      8.186725
  N      -6.412102     -5.025927     -0.596449
  N      -7.315791     -5.346061     -1.142219
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.834688485516
  N      -2.956502     -3.506132      1.901542
  C      -2.929339     -4.259804      0.649797
  C      -2.360921     -5.625577      0.993055
  N      -3.173338     -6.163354      2.122195
  C      -4.198161     -7.117347      1.639108
  C      -5.346955     -7.106265      2.619252
  N      -5.747416     -5.711711      2.742489
  Mo     -4.247525     -4.296171      3.227319
  N      -2.788107     -4.873292      4.505338
  C      -1.692527     -5.698134      4.008021
  C      -2.309555     -6.785894      3.155150
  H      -1.135520     -6.157707      4.838565
  H      -0.975354     -5.094155      3.421830
  H      -2.941037     -7.420214      3.791880
  H      -1.546207     -7.421517      2.676484
  H      -6.176686     -7.713056      2.223529
  H      -5.052185     -7.551439      3.589123
  H      -4.563224     -6.756166      0.668618
  H      -3.758194     -8.119546      1.505255
  H      -2.335434     -3.754642     -0.122080
  H      -3.943115     -4.376524      0.231830
  H      -1.318990     -5.518058      1.320830
  H      -2.389194     -6.327203      0.145636
  C      -1.991427     -2.541357      2.132178
  C      -0.815933     -2.499038      1.337356
  C       0.209365     -1.602210      1.581023
  C       0.102898     -0.689997      2.639715
  C      -1.040077     -0.682385      3.417663
  C      -2.116538     -1.575098      3.198618
  C      -3.309208     -1.522658      4.013589
  O      -4.157980     -2.523059      3.988791
  C      -3.730946     -0.445242      4.880317
  F      -4.913537     -0.768355      5.501451
  S      -3.094687      1.029682      5.226596
  C      -7.058224     -5.463330      3.079290
  C      -7.846927     -6.430909      3.746465
  C      -9.150895     -6.160321      4.126653
  C      -9.735597     -4.916095      3.843144
  C      -9.010782     -3.968963      3.141250
  C      -7.681545     -4.214127      2.731411
  C      -6.926113     -3.260167      1.941934
  O      -5.656737     -3.243530      1.961663
  C      -7.549880     -2.296456      1.013839
  F      -8.870896     -2.555809      0.770220
  S      -6.811321     -1.063449      0.251242
  C      -2.593088     -4.212348      5.713655
  C      -1.290584     -3.913997      6.168998
  C      -1.083226     -3.134488      7.299638
  C      -2.171676     -2.632844      8.022794
  C      -3.459692     -2.965202      7.631487
  C      -3.705139     -3.775452      6.504973
  C      -5.056678     -4.208140      6.170134
  O      -5.398862     -4.533704      4.971750
  C      -6.090622     -4.404970      7.179257
  F      -7.317970     -4.554849      6.595328
  S      -5.965393     -4.588846      8.804359
  H      -0.678472     -3.217839      0.532617
  H       1.103084     -1.626549      0.955120
  H       0.913094      0.006843      2.857662
  H      -1.133351      0.031406      4.232460
  H      -7.398063     -7.382021      4.029394
  H      -9.714204     -6.913990      4.679858
  H     -10.749322     -4.693250      4.176319
  H      -9.463962     -3.005285      2.918826
  H      -0.430749     -4.234067      5.582336
  H      -0.063266     -2.883988      7.596267
  H      -2.013288     -1.981405      8.882363
  H      -4.310416     -2.580276      8.188613
  N      -6.496592     -5.021958     -0.600021
  N      -7.409806     -5.332827     -1.134194
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.834785616366
  N      -2.949451     -3.509786      1.905169
  C      -2.926120     -4.259889      0.652326
  C      -2.360429     -5.628496      0.988259
  N      -3.167233     -6.168263      2.119975
  C      -4.191314     -7.125589      1.642089
  C      -5.339143     -7.112515      2.623545
  N      -5.741441     -5.718239      2.742406
  Mo     -4.243139     -4.300111      3.223263
  N      -2.786438     -4.871764      4.504899
  C      -1.688323     -5.693594      4.007251
  C      -2.300745     -6.783920      3.154282
  H      -1.129377     -6.151238      4.837557
  H      -0.972952     -5.087166      3.421121
  H      -2.929714     -7.420623      3.791177
  H      -1.533425     -7.416550      2.677927
  H      -6.168086     -7.722147      2.230630
  H      -5.042927     -7.552903      3.595091
  H      -4.558007     -6.770143      0.669929
  H      -3.750663     -8.128136      1.512648
  H      -2.340134     -3.752974     -0.124194
  H      -3.944494     -4.373737      0.245211
  H      -1.317751     -5.520738      1.314991
  H      -2.389946     -6.327983      0.139603
  C      -1.985284     -2.543780      2.135100
  C      -0.810335     -2.501484      1.339863
  C       0.214669     -1.604474      1.584060
  C       0.108038     -0.693308      2.643630
  C      -1.035208     -0.685609      3.421110
  C      -2.112105     -1.577850      3.201068
  C      -3.306809     -1.524463      4.013609
  O      -4.158815     -2.521488      3.988559
  C      -3.728428     -0.444144      4.878190
  F      -4.929271     -0.750417      5.471466
  S      -3.103538      1.040099      5.204435
  C      -7.052200     -5.468506      3.076194
  C      -7.844113     -6.434842      3.741655
  C      -9.148903     -6.162768      4.117862
  C      -9.731757     -4.918014      3.832380
  C      -9.003500     -3.971904      3.132932
  C      -7.673228     -4.218342      2.727167
  C      -6.917598     -3.264298      1.939622
  O      -5.647862     -3.250928      1.953666
  C      -7.542595     -2.289779      1.023084
  F      -8.861095     -2.554595      0.770303
  S      -6.815235     -1.024895      0.304622
  C      -2.593449     -4.212059      5.714415
  C      -1.291727     -3.910764      6.169861
  C      -1.086341     -3.132635      7.301940
  C      -2.176220     -2.635473      8.026100
  C      -3.463339     -2.970135      7.633759
  C      -3.706618     -3.778394      6.505531
  C      -5.057551     -4.211770      6.168071
  O      -5.396493     -4.536272      4.968550
  C      -6.093644     -4.408483      7.174453
  F      -7.323267     -4.538428      6.590281
  S      -5.975001     -4.570718      8.802628
  H      -0.672523     -3.219948      0.534822
  H       1.108188     -1.628018      0.957862
  H       0.918498      0.002929      2.862498
  H      -1.128801      0.028319      4.235716
  H      -7.397336     -7.386350      4.026443
  H      -9.714484     -6.915903      4.669451
  H     -10.746394     -4.694137      4.161968
  H      -9.455331     -3.007872      2.908669
  H      -0.430918     -4.227144      5.582640
  H      -0.067084     -2.879757      7.598888
  H      -2.019420     -1.985663      8.887214
  H      -4.315167     -2.588619      8.191581
  N      -6.578153     -5.018025     -0.594411
  N      -7.501711     -5.319218     -1.115491
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.834947382478
  N      -2.942694     -3.512962      1.908058
  C      -2.918407     -4.263257      0.654752
  C      -2.354690     -5.632042      0.990708
  N      -3.163233     -6.170895      2.120707
  C      -4.187215     -7.128419      1.642744
  C      -5.336048     -7.115230      2.623370
  N      -5.738613     -5.721169      2.742043
  Mo     -4.239604     -4.302888      3.221720
  N      -2.786229     -4.872952      4.506918
  C      -1.687369     -5.694337      4.010739
  C      -2.298323     -6.784931      3.157124
  H      -1.129790     -6.152352      4.841867
  H      -0.970317     -5.088236      3.426130
  H      -2.927829     -7.421851      3.793275
  H      -1.529575     -7.417197      2.682556
  H      -6.164395     -7.725363      2.229972
  H      -5.040362     -7.555219      3.595240
  H      -4.552537     -6.774207      0.669587
  H      -3.746882     -8.131369      1.514845
  H      -2.336933     -3.756309     -0.125285
  H      -3.938069     -4.377902      0.253520
  H      -1.312219     -5.525790      1.319136
  H      -2.383012     -6.330697      0.141454
  C      -1.981197     -2.544655      2.137235
  C      -0.807116     -2.500806      1.341225
  C       0.214714     -1.599374      1.582698
  C       0.104479     -0.684921      2.639332
  C      -1.038442     -0.679259      3.417316
  C      -2.111117     -1.577194      3.200915
  C      -3.305956     -1.525423      4.012429
  O      -4.157131     -2.522896      3.987088
  C      -3.724724     -0.445362      4.878886
  F      -4.918050     -0.754795      5.485448
  S      -3.084578      1.028654      5.221506
  C      -7.049012     -5.470104      3.074284
  C      -7.843579     -6.436088      3.737299
  C      -9.147800     -6.161859      4.113587
  C      -9.727856     -4.914979      3.831167
  C      -8.997189     -3.969054      3.134157
  C      -7.667478     -4.217843      2.727589
  C      -6.910921     -3.263904      1.941417
  O      -5.641058     -3.254562      1.950715
  C      -7.535554     -2.281750      1.032301
  F      -8.846043     -2.561255      0.754351
  S      -6.806950     -1.012854      0.322970
  C      -2.594697     -4.212279      5.716034
  C      -1.293501     -3.910955      6.172806
  C      -1.089325     -3.130288      7.303348
  C      -2.180031     -2.630207      8.024219
  C      -3.466801     -2.965127      7.630847
  C      -3.708973     -3.776608      6.504683
  C      -5.059901     -4.209797      6.165632
  O      -5.396698     -4.536167      4.966073
  C      -6.097900     -4.405271      7.170175
  F      -7.323747     -4.552133      6.581988
  S      -5.981479     -4.578293      8.797464
  H      -0.668060     -3.220759      0.537543
  H       1.107943     -1.621062      0.956059
  H       0.911807      0.015857      2.855167
  H      -1.135628      0.037970      4.229027
  H      -7.399029     -7.389126      4.020534
  H      -9.715135     -6.915030      4.663310
  H     -10.741925     -4.689487      4.161306
  H      -9.446615     -3.003385      2.912337
  H      -0.431981     -4.229537      5.587821
  H      -0.070377     -2.877291      7.601208
  H      -2.024118     -1.978027      8.883666
  H      -4.319103     -2.581252      8.186209
  N      -6.649034     -5.024821     -0.609917
  N      -7.579503     -5.317893     -1.123468
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.834949904562
  N      -2.935519     -3.515768      1.909398
  C      -2.909312     -4.268620      0.656581
  C      -2.344803     -5.635462      0.996297
  N      -3.158204     -6.172547      2.122892
  C      -4.181737     -7.129090      1.641906
  C      -5.332399     -7.117517      2.620518
  N      -5.735176     -5.723941      2.741248
  Mo     -4.235080     -4.305563      3.221078
  N      -2.784890     -4.875047      4.509865
  C      -1.686168     -5.697792      4.016564
  C      -2.296871     -6.787677      3.161934
  H      -1.131999     -6.157383      4.849260
  H      -0.965399     -5.093631      3.434523
  H      -2.928369     -7.423717      3.796919
  H      -1.527967     -7.420918      2.688856
  H      -6.159856     -7.727372      2.224779
  H      -5.037956     -7.559463      3.591901
  H      -4.544318     -6.773696      0.668103
  H      -3.741661     -8.132187      1.513894
  H      -2.332906     -3.762298     -0.127711
  H      -3.929819     -4.387429      0.260209
  H      -1.303005     -5.530492      1.326964
  H      -2.370395     -6.334248      0.146816
  C      -1.977404     -2.544463      2.137044
  C      -0.803707     -2.500467      1.340487
  C       0.215817     -1.595746      1.578719
  C       0.102935     -0.677892      2.632226
  C      -1.039503     -0.672895      3.411020
  C      -2.109897     -1.574457      3.198362
  C      -3.305188     -1.525894      4.009839
  O      -4.152814     -2.526201      3.983035
  C      -3.729122     -0.448918      4.877558
  F      -4.912087     -0.772959      5.496626
  S      -3.084578      1.017806      5.243150
  C      -7.045524     -5.472420      3.071256
  C      -7.843197     -6.439246      3.729496
  C      -9.147507     -6.163746      4.104227
  C      -9.725298     -4.915015      3.824536
  C      -8.991921     -3.968395      3.131504
  C      -7.661750     -4.218337      2.727039
  C      -6.903956     -3.264457      1.942730
  O      -5.634052     -3.257931      1.948751
  C      -7.529473     -2.275979      1.040730
  F      -8.848920     -2.536153      0.786962
  S      -6.809982     -0.984773      0.363334
  C      -2.594782     -4.212068      5.717793
  C      -1.294124     -3.912606      6.177249
  C      -1.091074     -3.128496      7.305571
  C      -2.182473     -2.623114      8.021576
  C      -3.469019     -2.956820      7.626342
  C      -3.710232     -3.771851      6.502513
  C      -5.061194     -4.204327      6.162436
  O      -5.396794     -4.534434      4.963546
  C      -6.100570     -4.395429      7.166322
  F      -7.323884     -4.554527      6.575822
  S      -5.985734     -4.571010      8.793444
  H      -0.664143     -3.223159      0.539357
  H       1.109258     -1.617357      0.952372
  H       0.908175      0.026160      2.845200
  H      -1.138080      0.046359      4.220655
  H      -7.400810     -7.394019      4.010408
  H      -9.717161     -6.917742      4.650420
  H     -10.739611     -4.689069      4.153552
  H      -9.439330     -3.001459      2.910763
  H      -0.431870     -4.236072      5.596054
  H      -0.072313     -2.877075      7.605390
  H      -2.027394     -1.967996      8.878899
  H      -4.321740     -2.569312      8.178524
  N      -6.714279     -5.042014     -0.629814
  N      -7.650598     -5.328991     -1.136657
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835058161479
  N      -2.931716     -3.515192      1.911396
  C      -2.906206     -4.268677      0.658385
  C      -2.339670     -5.634115      0.999039
  N      -3.155866     -6.171212      2.123425
  C      -4.179321     -7.126207      1.639236
  C      -5.330785     -7.117039      2.616862
  N      -5.733457     -5.723928      2.741136
  Mo     -4.232276     -4.306146      3.222317
  N      -2.783273     -4.877105      4.511899
  C      -1.685191     -5.700691      4.019107
  C      -2.296491     -6.789011      3.162913
  H      -1.133058     -6.162490      4.852038
  H      -0.962144     -5.097398      3.439101
  H      -2.929172     -7.424913      3.796767
  H      -1.528166     -7.422697      2.689439
  H      -6.157864     -7.725970      2.218889
  H      -5.036869     -7.561941      3.587080
  H      -4.540475     -6.768132      0.665792
  H      -3.739483     -8.129163      1.509202
  H      -2.334354     -3.761976     -0.128924
  H      -3.928105     -4.390484      0.266665
  H      -1.298010     -5.530340      1.329960
  H      -2.364413     -6.332230      0.148678
  C      -1.975357     -2.542387      2.138268
  C      -0.801847     -2.498286      1.341177
  C       0.216856     -1.592439      1.577852
  C       0.103252     -0.673541      2.630337
  C      -1.038623     -0.668903      3.410014
  C      -2.108603     -1.571535      3.199195
  C      -3.304085     -1.525871      4.011384
  O      -4.149224     -2.528206      3.982484
  C      -3.733959     -0.451790      4.879721
  F      -4.925394     -0.775864      5.482302
  S      -3.101369      1.020211      5.245513
  C      -7.043623     -5.472686      3.070576
  C      -7.842550     -6.441181      3.724954
  C      -9.146265     -6.165270      4.101077
  C      -9.722449     -4.914539      3.826723
  C      -8.988372     -3.966492      3.136478
  C      -7.658896     -4.217141      2.729653
  C      -6.900384     -3.262759      1.946455
  O      -5.630408     -3.258471      1.949978
  C      -7.525194     -2.271346      1.046872
  F      -8.836286     -2.546746      0.767181
  S      -6.797845     -0.992451      0.354728
  C      -2.593378     -4.214186      5.719828
  C      -1.292796     -3.917579      6.181377
  C      -1.089755     -3.133486      7.309696
  C      -2.181117     -2.625628      8.023902
  C      -3.467780     -2.957094      7.627109
  C      -3.709090     -3.771692      6.503000
  C      -5.060388     -4.202311      6.162243
  O      -5.396391     -4.533136      4.963604
  C      -6.100062     -4.390154      7.166360
  F      -7.324976     -4.541006      6.576727
  S      -5.986701     -4.556393      8.794579
  H      -0.662567     -3.222344      0.541358
  H       1.110424     -1.614172      0.951663
  H       0.907850      0.031628      2.842109
  H      -1.136810      0.050415      4.219347
  H      -7.401181     -7.397497      4.002269
  H      -9.716710     -6.920506      4.644754
  H     -10.736043     -4.688383      4.157788
  H      -9.434275     -2.998011      2.919999
  H      -0.430403     -4.243823      5.601959
  H      -0.070895     -2.884403      7.611144
  H      -2.026063     -1.970453      8.881178
  H      -4.320456     -2.568105      8.178378
  N      -6.761623     -5.050457     -0.636780
  N      -7.702536     -5.333301     -1.137751
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835091094613
  N      -2.929524     -3.515439      1.912984
  C      -2.907234     -4.268384      0.660278
  C      -2.338545     -5.633339      0.999552
  N      -3.154113     -6.171311      2.124293
  C      -4.177144     -7.126490      1.639695
  C      -5.328931     -7.117786      2.616937
  N      -5.731728     -5.724853      2.741778
  Mo     -4.230778     -4.306777      3.223498
  N      -2.782340     -4.877560      4.513520
  C      -1.684013     -5.701042      4.020796
  C      -2.294456     -6.789194      3.163710
  H      -1.132360     -6.163508      4.853700
  H      -0.960581     -5.097363      3.441755
  H      -2.926883     -7.425746      3.797117
  H      -1.525753     -7.422278      2.690054
  H      -6.155718     -7.726694      2.218334
  H      -5.035167     -7.563235      3.586958
  H      -4.537913     -6.768465      0.666020
  H      -3.737058     -8.129357      1.509762
  H      -2.339507     -3.761051     -0.129599
  H      -3.930676     -4.390936      0.272884
  H      -1.296698     -5.529093      1.329559
  H      -2.363315     -6.331123      0.148830
  C      -1.973440     -2.542286      2.138815
  C      -0.800564     -2.495811      1.340680
  C       0.216526     -1.587913      1.576892
  C       0.101811     -0.668935      2.629306
  C      -1.039571     -0.666398      3.409595
  C      -2.107005     -1.572000      3.199892
  C      -3.301895     -1.526520      4.011717
  O      -4.147431     -2.528535      3.983464
  C      -3.727061     -0.450888      4.880194
  F      -4.925682     -0.763452      5.474676
  S      -3.089651      1.021036      5.237163
  C      -7.042135     -5.473266      3.069161
  C      -7.842752     -6.441670      3.721768
  C      -9.146762     -6.164884      4.096125
  C      -9.721691     -4.913566      3.821597
  C      -8.986081     -3.965787      3.132734
  C      -7.656215     -4.217300      2.727531
  C      -6.896545     -3.263924      1.944517
  O      -5.626453     -3.260758      1.947664
  C      -7.520354     -2.271644      1.045109
  F      -8.831085     -2.546851      0.763459
  S      -6.793130     -0.989924      0.358222
  C      -2.592977     -4.215709      5.722200
  C      -1.292514     -3.920560      6.185020
  C      -1.089621     -3.137252      7.313932
  C      -2.181140     -2.628419      8.027131
  C      -3.467792     -2.958394      7.628963
  C      -3.709030     -3.772856      6.504731
  C      -5.060633     -4.202073      6.162806
  O      -5.396238     -4.532189      4.963721
  C      -6.101244     -4.389934      7.165784
  F      -7.325494     -4.541141      6.574497
  S      -5.990216     -4.559199      8.793961
  H      -0.661192     -3.219159      0.540283
  H       1.109501     -1.607314      0.949800
  H       0.904881      0.038285      2.840004
  H      -1.139549      0.053809      4.218279
  H      -7.402428     -7.398421      3.999165
  H      -9.718629     -6.919963      4.638539
  H     -10.735551     -4.686930      4.151517
  H      -9.430939     -2.996873      2.915993
  H      -0.429954     -4.247292      5.606127
  H      -0.070774     -2.889361      7.616407
  H      -2.026339     -1.973481      8.884664
  H      -4.320468     -2.568222      8.179291
  N      -6.795735     -5.059526     -0.629849
  N      -7.739036     -5.342353     -1.126494
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835113566828
  N      -2.926729     -3.514412      1.914644
  C      -2.908032     -4.267217      0.662576
  C      -2.335251     -5.630845      1.000747
  N      -3.150695     -6.170293      2.125253
  C      -4.172736     -7.125760      1.639147
  C      -5.325295     -7.118641      2.615531
  N      -5.728544     -5.726127      2.741982
  Mo     -4.228246     -4.307382      3.225183
  N      -2.780728     -4.878140      4.515897
  C      -1.681907     -5.701288      4.023436
  C      -2.290996     -6.788842      3.164539
  H      -1.131370     -6.165072      4.856380
  H      -0.957637     -5.096912      3.446263
  H      -2.923305     -7.426512      3.796906
  H      -1.521807     -7.420925      2.690398
  H      -6.151449     -7.727465      2.215480
  H      -5.031836     -7.565490      3.585014
  H      -4.532709     -6.767270      0.665309
  H      -3.731939     -8.128264      1.508820
  H      -2.346218     -3.758778     -0.131028
  H      -3.933422     -4.392119      0.281199
  H      -1.293427     -5.525368      1.330102
  H      -2.359047     -6.328417      0.149686
  C      -1.971639     -2.540653      2.138496
  C      -0.801203     -2.490841      1.336847
  C       0.214979     -1.581726      1.572131
  C       0.101695     -0.664832      2.626654
  C      -1.037894     -0.664834      3.409558
  C      -2.104295     -1.571691      3.200751
  C      -3.298580     -1.527373      4.012999
  O      -4.143972     -2.529518      3.984559
  C      -3.721808     -0.451640      4.882181
  F      -4.917605     -0.764619      5.482194
  S      -3.078163      1.016717      5.242105
  C      -7.039349     -5.474455      3.066370
  C      -7.842194     -6.443146      3.716033
  C      -9.146540     -6.165341      4.088245
  C      -9.719784     -4.913028      3.814289
  C      -8.982231     -3.965194      3.127774
  C      -7.651853     -4.217659      2.724554
  C      -6.890812     -3.265746      1.941462
  O      -5.620579     -3.264080      1.943871
  C      -7.513575     -2.272809      1.041919
  F      -8.824715     -2.546156      0.760437
  S      -6.785934     -0.989324      0.358878
  C      -2.592572     -4.217569      5.725556
  C      -1.292548     -3.924505      6.190924
  C      -1.090466     -3.142248      7.320753
  C      -2.182552     -2.632224      8.032139
  C      -3.468972     -2.960037      7.631323
  C      -3.709469     -3.773601      6.506305
  C      -5.061218     -4.201007      6.162693
  O      -5.396214     -4.530602      4.963096
  C      -6.103056     -4.387036      7.164457
  F      -7.329499     -4.521953      6.573136
  S      -5.996866     -4.542014      8.794528
  H      -0.664165     -3.212420      0.534342
  H       1.106271     -1.598094      0.942561
  H       0.904266      0.043251      2.836346
  H      -1.137247      0.054415      4.219292
  H      -7.403186     -7.400624      3.992971
  H      -9.720314     -6.920461      4.628596
  H     -10.733960     -4.685983      4.142952
  H      -9.425682     -2.995594      2.911160
  H      -0.429450     -4.252177      5.613378
  H      -0.071793     -2.896267      7.625349
  H      -2.028598     -1.978003      8.890388
  H      -4.322013     -2.568869      8.180382
  N      -6.853010     -5.079846     -0.624146
  N      -7.799025     -5.363867     -1.115088
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835158883327
  N      -2.923711     -3.511226      1.916460
  C      -2.909177     -4.264604      0.665351
  C      -2.331030     -5.626307      1.002913
  N      -3.146658     -6.167245      2.127059
  C      -4.167516     -7.123023      1.638889
  C      -5.321045     -7.117856      2.614217
  N      -5.724552     -5.725752      2.742573
  Mo     -4.225048     -4.306354      3.227962
  N      -2.778857     -4.877834      4.519512
  C      -1.679410     -5.700451      4.027285
  C      -2.287010     -6.787021      3.165975
  H      -1.130269     -6.165945      4.860210
  H      -0.954291     -5.095013      3.452385
  H      -2.919355     -7.426055      3.796943
  H      -1.517468     -7.417931      2.690970
  H      -6.146558     -7.726409      2.212417
  H      -5.028020     -7.566485      3.583032
  H      -4.526625     -6.763668      0.665054
  H      -3.725767     -8.124987      1.507768
  H      -2.353770     -3.755075     -0.132416
  H      -3.936774     -4.392791      0.290966
  H      -1.289345     -5.518991      1.331650
  H      -2.353530     -6.324116      0.151873
  C      -1.969407     -2.537479      2.137683
  C      -0.802825     -2.484817      1.330554
  C       0.214433     -1.576936      1.565050
  C       0.106279     -0.664724      2.624257
  C      -1.030506     -0.666231      3.411369
  C      -2.099028     -1.570595      3.202409
  C      -3.293055     -1.527329      4.015713
  O      -4.138525     -2.529445      3.985871
  C      -3.718754     -0.452402      4.884807
  F      -4.916357     -0.766706      5.480479
  S      -3.080701      1.018833      5.242619
  C      -7.035807     -5.473812      3.063499
  C      -7.841113     -6.442602      3.710205
  C      -9.145644     -6.163294      4.080366
  C      -9.716796     -4.909764      3.807011
  C      -8.977142     -3.962083      3.122783
  C      -7.646333     -4.215909      2.721527
  C      -6.883773     -3.266436      1.937263
  O      -5.613383     -3.266681      1.938937
  C      -7.505371     -2.274221      1.036040
  F      -8.819044     -2.541603      0.760950
  S      -6.776384     -0.991585      0.352732
  C      -2.592333     -4.218808      5.730306
  C      -1.292886     -3.928581      6.199037
  C      -1.091828     -3.147170      7.329650
  C      -2.184585     -2.634979      8.038311
  C      -3.470712     -2.960074      7.634244
  C      -3.710314     -3.772974      6.508560
  C      -5.062221     -4.197952      6.162661
  O      -5.396292     -4.526819      4.962321
  C      -6.105733     -4.382737      7.162582
  F      -7.329830     -4.527242      6.567969
  S      -6.002807     -4.544355      8.792309
  H      -0.671023     -3.203627      0.524485
  H       1.103170     -1.590769      0.931792
  H       0.910586      0.041437      2.833801
  H      -1.125623      0.049747      4.224269
  H      -7.403613     -7.400934      3.986606
  H      -9.721594     -6.918188      4.618724
  H     -10.731191     -4.682065      4.134544
  H      -9.418891     -2.991692      2.906181
  H      -0.429109     -4.257829      5.623426
  H      -0.073366     -2.903660      7.636907
  H      -2.031691     -1.981143      8.897028
  H      -4.324169     -2.566996      8.181279
  N      -6.925768     -5.110562     -0.616971
  N      -7.873863     -5.397892     -1.102027
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835191244809
  N      -2.923449     -3.506892      1.916327
  C      -2.912723     -4.260471      0.665321
  C      -2.331705     -5.621464      1.001183
  N      -3.144946     -6.163515      2.126860
  C      -4.164880     -7.120889      1.639476
  C      -5.318062     -7.116268      2.615279
  N      -5.721923     -5.724254      2.742750
  Mo     -4.224043     -4.303603      3.229250
  N      -2.778210     -4.875681      4.520576
  C      -1.677457     -5.696005      4.027033
  C      -2.283344     -6.782563      3.164489
  H      -1.127278     -6.161547      4.859170
  H      -0.954087     -5.088102      3.452509
  H      -2.914344     -7.423469      3.795018
  H      -1.513025     -7.411581      2.688327
  H      -6.143404     -7.725448      2.214106
  H      -5.024389     -7.564070      3.584279
  H      -4.525195     -6.762395      0.665778
  H      -3.721803     -8.122235      1.508433
  H      -2.360141     -3.750443     -0.134022
  H      -3.941913     -4.389181      0.295749
  H      -1.289797     -5.512101      1.328588
  H      -2.354733     -6.319824      0.150730
  C      -1.968316     -2.534245      2.136561
  C      -0.803588     -2.479875      1.326669
  C       0.215993     -1.575307      1.563566
  C       0.112801     -0.668958      2.628328
  C      -1.022664     -0.671048      3.417396
  C      -2.094488     -1.570658      3.204882
  C      -3.288675     -1.526384      4.017972
  O      -4.135914     -2.526990      3.986987
  C      -3.713971     -0.451244      4.887105
  F      -4.910254     -0.766421      5.484826
  S      -3.076365      1.020509      5.243119
  C      -7.033532     -5.472150      3.061706
  C      -7.839507     -6.440607      3.708112
  C      -9.144136     -6.160726      4.077273
  C      -9.714629     -4.907011      3.803120
  C      -8.974509     -3.959828      3.118841
  C      -7.643542     -4.214181      2.718284
  C      -6.880843     -3.267076      1.931257
  O      -5.610360     -3.267729      1.933091
  C      -7.501897     -2.278970      1.025185
  F      -8.817020     -2.543736      0.754981
  S      -6.770101     -1.003907      0.330559
  C      -2.592891     -4.218628      5.732589
  C      -1.293852     -3.929572      6.203172
  C      -1.093622     -3.150171      7.335305
  C      -2.186914     -2.638867      8.043722
  C      -3.472744     -2.962693      7.637642
  C      -3.711516     -3.773376      6.510199
  C      -5.063301     -4.196867      6.162375
  O      -5.396477     -4.523468      4.960926
  C      -6.107776     -4.382662      7.160822
  F      -7.330630     -4.531037      6.564340
  S      -6.006789     -4.547556      8.790365
  H      -0.675295     -3.195171      0.516998
  H       1.103265     -1.587473      0.928213
  H       0.919971      0.033138      2.840467
  H      -1.113908      0.040808      4.234245
  H      -7.402186     -7.398805      3.985310
  H      -9.720718     -6.914988      4.615830
  H     -10.729114     -4.678980      4.130162
  H      -9.415885     -2.989461      2.901502
  H      -0.429565     -4.257946      5.627854
  H      -0.075367     -2.907640      7.643999
  H      -2.034812     -1.986714      8.903822
  H      -4.326632     -2.570182      8.184423
  N      -6.975280     -5.138202     -0.604518
  N      -7.922304     -5.431771     -1.087626
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835244642633
  N      -2.924037     -3.498043      1.915934
  C      -2.919195     -4.250161      0.663661
  C      -2.336519     -5.611607      0.994979
  N      -3.143838     -6.155929      2.124322
  C      -4.162418     -7.116762      1.640250
  C      -5.313860     -7.112376      2.618229
  N      -5.718298     -5.720293      2.742694
  Mo     -4.223635     -4.297328      3.231075
  N      -2.778395     -4.871530      4.521275
  C      -1.674876     -5.686212      4.023562
  C      -2.277597     -6.772832      3.158923
  H      -1.121108     -6.151297      4.853374
  H      -0.956383     -5.072647      3.448869
  H      -2.905095     -7.417879      3.788949
  H      -1.505417     -7.397623      2.680299
  H      -6.139300     -7.723168      2.219888
  H      -5.018109     -7.557049      3.588009
  H      -4.526320     -6.760833      0.667000
  H      -3.716793     -8.116972      1.509730
  H      -2.367841     -3.739265     -0.135859
  H      -3.951023     -4.375429      0.300666
  H      -1.293896     -5.499478      1.319664
  H      -2.362110     -6.310365      0.145292
  C      -1.966139     -2.528919      2.136352
  C      -0.804669     -2.471291      1.321905
  C       0.219899     -1.573964      1.564669
  C       0.126245     -0.679553      2.640443
  C      -1.007400     -0.682436      3.432252
  C      -2.085774     -1.572131      3.211649
  C      -3.280523     -1.524593      4.023593
  O      -4.132436     -2.521213      3.990261
  C      -3.703286     -0.447880      4.892154
  F      -4.896202     -0.762935      5.496263
  S      -3.064671      1.024865      5.241530
  C      -7.030410     -5.467582      3.059278
  C      -7.836823     -6.434818      3.706947
  C      -9.141432     -6.154090      4.075169
  C      -9.711260     -4.900542      3.798643
  C      -8.971057     -3.954841      3.112559
  C      -7.640107     -4.210051      2.712395
  C      -6.877888     -3.267754      1.918837
  O      -5.607309     -3.267775      1.922351
  C      -7.498179     -2.290952      1.000240
  F      -8.816964     -2.549448      0.743292
  S      -6.759805     -1.037133      0.273994
  C      -2.594736     -4.218383      5.735567
  C      -1.296257     -3.929601      6.207993
  C      -1.097368     -3.153794      7.342762
  C      -2.191519     -2.645714      8.052126
  C      -3.476814     -2.968767      7.643740
  C      -3.714194     -3.775789      6.513368
  C      -5.065491     -4.197691      6.162222
  O      -5.396615     -4.518553      4.958258
  C      -6.111415     -4.388611      7.157808
  F      -7.332546     -4.539133      6.558324
  S      -6.013502     -4.560244      8.786849
  H      -0.682483     -3.178772      0.504488
  H       1.104474     -1.582932      0.925500
  H       0.939255      0.013918      2.858486
  H      -1.091795      0.021363      4.256666
  H      -7.399299     -7.392221      3.986566
  H      -9.718360     -6.906776      4.615529
  H     -10.725699     -4.671664      4.125282
  H      -9.412331     -2.984909      2.893348
  H      -0.431169     -4.254602      5.632033
  H      -0.079478     -2.911289      7.652660
  H      -2.040573     -1.996489      8.914595
  H      -4.331418     -2.578315      8.190810
  N      -7.049078     -5.194100     -0.573638
  N      -7.990042     -5.503645     -1.057739
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835286537112
  N      -2.924396     -3.491194      1.915502
  C      -2.922724     -4.240390      0.660709
  C      -2.342579     -5.603741      0.987841
  N      -3.144977     -6.149448      2.120058
  C      -4.163048     -7.112774      1.639659
  C      -5.312229     -7.108304      2.620353
  N      -5.717085     -5.716116      2.742240
  Mo     -4.224403     -4.291478      3.231298
  N      -2.779449     -4.868068      4.520090
  C      -1.673966     -5.677659      4.017837
  C      -2.274802     -6.764433      3.152122
  H      -1.116265     -6.142186      4.845216
  H      -0.960013     -5.059511      3.442358
  H      -2.898906     -7.412823      3.782177
  H      -1.501091     -7.385802      2.671476
  H      -6.138080     -7.720521      2.225220
  H      -5.014132     -7.549948      3.590758
  H      -4.530440     -6.758932      0.667013
  H      -3.715732     -8.112242      1.509417
  H      -2.369126     -3.729082     -0.136759
  H      -3.956537     -4.358395      0.300881
  H      -1.298937     -5.491827      1.309808
  H      -2.372006     -6.301758      0.137928
  C      -1.963768     -2.525426      2.138198
  C      -0.802650     -2.466911      1.323291
  C       0.225596     -1.575261      1.571695
  C       0.136767     -0.688114      2.653911
  C      -0.997238     -0.690472      3.445271
  C      -2.079979     -1.573016      3.217748
  C      -3.275902     -1.522274      4.027512
  O      -4.131466     -2.515768      3.992078
  C      -3.696160     -0.444119      4.895415
  F      -4.886998     -0.757792      5.504035
  S      -3.055334      1.028803      5.239904
  C      -7.029315     -5.462847      3.058286
  C      -7.835407     -6.428825      3.708132
  C      -9.139803     -6.147705      4.076541
  C      -9.709623     -4.894614      3.797864
  C      -8.970037     -3.950419      3.109035
  C      -7.639419     -4.206239      2.708230
  C      -6.878069     -3.267933      1.908648
  O      -5.607494     -3.266063      1.914694
  C      -7.497999     -2.303337      0.977206
  F      -8.820413     -2.555515      0.734088
  S      -6.754244     -1.071296      0.219230
  C      -2.596142     -4.217670      5.735851
  C      -1.297817     -3.928491      6.208631
  C      -1.099494     -3.156038      7.345731
  C      -2.193964     -2.652113      8.057616
  C      -3.478986     -2.975310      7.648587
  C      -3.715714     -3.778189      6.515154
  C      -5.066550     -4.199420      6.162015
  O      -5.396513     -4.515104      4.956166
  C      -6.112747     -4.394730      7.156223
  F      -7.333183     -4.545838      6.555889
  S      -6.014837     -4.569641      8.784850
  H      -0.682661     -3.169392      0.501311
  H       1.109587     -1.583223      0.931696
  H       0.953701     -0.000940      2.877100
  H      -1.078414      0.008351      4.274196
  H      -7.397357     -7.385338      3.989989
  H      -9.716290     -6.899099      4.619142
  H     -10.723775     -4.664880      4.124830
  H      -9.411661     -2.981067      2.888220
  H      -0.432367     -4.250166      5.631376
  H      -0.081772     -2.912977      7.655741
  H      -2.043335     -2.006007      8.922469
  H      -4.334013     -2.588258      8.197475
  N      -7.091403     -5.242481     -0.543879
  N      -8.025122     -5.567033     -1.031432
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835352982050
  N      -2.924140     -3.483974      1.916395
  C      -2.923949     -4.226688      0.656327
  C      -2.352351     -5.594702      0.977321
  N      -3.149439     -6.141705      2.112172
  C      -4.167985     -7.106725      1.636472
  C      -5.313412     -7.102305      2.621467
  N      -5.718270     -5.709999      2.741583
  Mo     -4.226550     -4.284208      3.230663
  N      -2.781701     -4.865230      4.516863
  C      -1.674840     -5.668701      4.007671
  C      -2.274883     -6.755214      3.141075
  H      -1.111604     -6.133089      4.831322
  H      -0.966388     -5.045507      3.430823
  H      -2.894741     -7.407353      3.771438
  H      -1.499735     -7.372878      2.657816
  H      -6.140325     -7.715703      2.230565
  H      -5.011867     -7.541071      3.592054
  H      -4.539858     -6.754250      0.665105
  H      -3.719662     -8.105669      1.505517
  H      -2.363116     -3.714850     -0.135426
  H      -3.959826     -4.329046      0.296580
  H      -1.306776     -5.487474      1.295097
  H      -2.388956     -6.289683      0.125392
  C      -1.960026     -2.522686      2.144872
  C      -0.796432     -2.465676      1.333563
  C       0.235216     -1.579755      1.588942
  C       0.147713     -0.696977      2.674827
  C      -0.989001     -0.697177      3.462344
  C      -2.075212     -1.573369      3.227096
  C      -3.273416     -1.519055      4.033037
  O      -4.132575     -2.509479      3.994324
  C      -3.691300     -0.439900      4.900488
  F      -4.880703     -0.751860      5.512517
  S      -3.048062      1.033025      5.241087
  C      -7.030193     -5.455845      3.058704
  C      -7.835442     -6.419991      3.712114
  C      -9.139443     -6.138507      4.081441
  C      -9.709625     -4.886232      3.799835
  C      -8.971186     -3.944204      3.106628
  C      -7.641204     -4.200835      2.704646
  C      -6.880981     -3.267534      1.897396
  O      -5.610535     -3.261564      1.908553
  C      -7.500539     -2.321280      0.947492
  F      -8.828043     -2.563916      0.724671
  S      -6.750227     -1.122005      0.143869
  C      -2.597023     -4.217319      5.733680
  C      -1.298252     -3.926748      6.204586
  C      -1.099247     -3.156632      7.343070
  C      -2.193172     -2.656626      8.058666
  C      -3.478378     -2.981000      7.651340
  C      -3.715756     -3.781348      6.516236
  C      -5.066384     -4.202850      6.162467
  O      -5.395982     -4.512425      4.954943
  C      -6.111701     -4.405253      7.156251
  F      -7.332505     -4.551966      6.556601
  S      -6.011249     -4.586526      8.783928
  H      -0.675537     -3.164751      0.508833
  H       1.120682     -1.588942      0.951003
  H       0.967669     -0.015365      2.903867
  H      -1.069665     -0.001540      4.294005
  H      -7.396667     -7.375375      3.996758
  H      -9.714903     -6.888399      4.627166
  H     -10.723252     -4.655185      4.127531
  H      -9.413530     -2.975765      2.883436
  H      -0.433118     -4.244985      5.624963
  H      -0.081367     -2.911891      7.651260
  H      -2.041592     -2.012493      8.924846
  H      -4.333160     -2.597051      8.202733
  N      -7.116313     -5.305498     -0.503840
  N      -8.038714     -5.650047     -0.997898
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835436894178
  N      -2.920341     -3.478179      1.919912
  C      -2.920841     -4.210873      0.652559
  C      -2.362583     -5.585840      0.965148
  N      -3.155492     -6.133939      2.101442
  C      -4.175765     -7.098862      1.629898
  C      -5.316687     -7.095285      2.619985
  N      -5.720962     -5.703039      2.741005
  Mo     -4.228071     -4.277216      3.228565
  N      -2.783558     -4.863577      4.512113
  C      -1.676680     -5.661527      3.994822
  C      -2.277324     -6.747264      3.127438
  H      -1.107696     -6.127004      4.813996
  H      -0.972976     -5.034140      3.416725
  H      -2.893152     -7.402721      3.758141
  H      -1.501288     -7.361870      2.641483
  H      -6.145154     -7.708929      2.232829
  H      -5.011192     -7.533294      3.589627
  H      -4.551950     -6.745736      0.660465
  H      -3.727779     -8.097728      1.496564
  H      -2.351159     -3.697856     -0.131888
  H      -3.959361     -4.290588      0.292750
  H      -1.313987     -5.488959      1.276362
  H      -2.409788     -6.274729      0.108762
  C      -1.953912     -2.520528      2.156545
  C      -0.784777     -2.467777      1.353315
  C       0.247806     -1.584380      1.614335
  C       0.155090     -0.699119      2.697767
  C      -0.986638     -0.695951      3.477984
  C      -2.072822     -1.570781      3.237576
  C      -3.274410     -1.514601      4.038172
  O      -4.135086     -2.503761      3.994967
  C      -3.691844     -0.436006      4.905964
  F      -4.882683     -0.746179      5.516083
  S      -3.046153      1.035679      5.248554
  C      -7.032132     -5.447458      3.059580
  C      -7.837246     -6.409113      3.716636
  C      -9.140803     -6.126328      4.086421
  C      -9.710651     -4.874653      3.801291
  C      -8.972638     -3.935598      3.103290
  C      -7.643415     -4.194238      2.700703
  C      -6.883168     -3.267225      1.885482
  O      -5.612920     -3.256366      1.903745
  C      -7.501354     -2.342108      0.914622
  F      -8.834056     -2.573365      0.712812
  S      -6.744724     -1.178878      0.064301
  C      -2.596067     -4.217844      5.729652
  C      -1.296420     -3.927246      6.198246
  C      -1.095673     -3.159853      7.338228
  C      -2.188280     -2.663369      8.058421
  C      -3.474084     -2.988095      7.653503
  C      -3.713194     -3.784670      6.516190
  C      -5.064055     -4.205841      6.162886
  O      -5.394905     -4.509741      4.954596
  C      -6.107460     -4.412639      7.157986
  F      -7.329792     -4.553519      6.561301
  S      -6.001301     -4.597244      8.784785
  H      -0.658895     -3.167917      0.530158
  H       1.137329     -1.597414      0.982146
  H       0.974842     -0.018621      2.930816
  H      -1.071596      0.001111      4.308130
  H      -7.398544     -7.363694      4.004271
  H      -9.715775     -6.874456      4.635049
  H     -10.723625     -4.641380      4.129434
  H      -9.414989     -2.967912      2.876980
  H      -0.432151     -4.243327      5.616152
  H      -0.077327     -2.914624      7.644515
  H      -2.034701     -2.021845      8.926221
  H      -4.328166     -2.607699      8.208588
  N      -7.140740     -5.387882     -0.455610
  N      -8.052819     -5.753214     -0.952327
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835521836933
  N      -2.913942     -3.479241      1.926347
  C      -2.913325     -4.203213      0.653505
  C      -2.366980     -5.584283      0.958949
  N      -3.160116     -6.132493      2.094268
  C      -4.183103     -7.094710      1.623445
  C      -5.321489     -7.092128      2.616479
  N      -5.724481     -5.699984      2.741608
  Mo     -4.227785     -4.276521      3.226167
  N      -2.783458     -4.866303      4.508401
  C      -1.678612     -5.663114      3.986561
  C      -2.281622     -6.747810      3.119307
  H      -1.106862     -6.130467      4.802948
  H      -0.976031     -5.035306      3.407552
  H      -2.896578     -7.403651      3.750236
  H      -1.506297     -7.362474      2.632173
  H      -6.151449     -7.704237      2.229939
  H      -5.013992     -7.533036      3.584169
  H      -4.560728     -6.738321      0.655762
  H      -3.737342     -8.094218      1.486770
  H      -2.337544     -3.688503     -0.125434
  H      -3.952132     -4.268408      0.292971
  H      -1.315748     -5.499682      1.264302
  H      -2.423391     -6.266295      0.097363
  C      -1.948678     -2.521302      2.169379
  C      -0.773311     -2.473965      1.375420
  C       0.255981     -1.586601      1.636127
  C       0.151961     -0.690607      2.709647
  C      -0.994636     -0.684774      3.482606
  C      -2.075937     -1.566461      3.244529
  C      -3.280206     -1.512826      4.041623
  O      -4.138524     -2.504145      3.994269
  C      -3.700711     -0.437995      4.912198
  F      -4.896119     -0.749021      5.513281
  S      -3.055052      1.031069      5.267106
  C      -7.034805     -5.443048      3.061227
  C      -7.840767     -6.402881      3.719785
  C      -9.144372     -6.118507      4.088367
  C      -9.713362     -4.867057      3.800337
  C      -8.974379     -3.930080      3.100267
  C      -7.645275     -4.190778      2.699209
  C      -6.883027     -3.267078      1.881777
  O      -5.612901     -3.253780      1.905646
  C      -7.499253     -2.350572      0.902044
  F      -8.833618     -2.577988      0.706381
  S      -6.740552     -1.198709      0.037744
  C      -2.592473     -4.220097      5.725165
  C      -1.291692     -3.930030      6.190867
  C      -1.088373     -3.160776      7.329173
  C      -2.179158     -2.661826      8.050508
  C      -3.465970     -2.986580      7.648928
  C      -3.707841     -3.785483      6.513839
  C      -5.059853     -4.206567      6.163521
  O      -5.393876     -4.510324      4.956727
  C      -6.101003     -4.413314      7.161709
  F      -7.325866     -4.545491      6.569022
  S      -5.989070     -4.600882      8.787719
  H      -0.640030     -3.181135      0.559309
  H       1.150619     -1.604685      1.011350
  H       0.966898     -0.003814      2.941194
  H      -1.087762      0.019450      4.305907
  H      -7.403081     -7.357472      4.009135
  H      -9.719988     -6.865594      4.637741
  H     -10.726243     -4.632020      4.127484
  H      -9.415938     -2.962664      2.871119
  H      -0.428796     -4.248080      5.607784
  H      -0.069299     -2.915695      7.633184
  H      -2.023073     -2.018352      8.916481
  H      -4.318691     -2.604437      8.204863
  N      -7.144952     -5.437622     -0.434148
  N      -8.054650     -5.811835     -0.932172
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835585766298
  N      -2.909628     -3.475961      1.934052
  C      -2.914207     -4.189684      0.656436
  C      -2.376307     -5.577602      0.949391
  N      -3.165047     -6.128729      2.086444
  C      -4.189243     -7.090966      1.619054
  C      -5.324226     -7.088623      2.615929
  N      -5.725692     -5.696752      2.744429
  Mo     -4.227241     -4.274747      3.225160
  N      -2.782531     -4.866167      4.505608
  C      -1.679072     -5.660646      3.977409
  C      -2.282990     -6.744281      3.108975
  H      -1.103799     -6.130670      4.789925
  H      -0.978737     -5.030521      3.398119
  H      -2.895379     -7.402122      3.740304
  H      -1.508109     -7.357210      2.619016
  H      -6.155856     -7.699734      2.231197
  H      -5.013459     -7.531931      3.581501
  H      -4.568886     -6.734933      0.652208
  H      -3.744662     -8.090942      1.481510
  H      -2.336710     -3.671479     -0.119479
  H      -3.954930     -4.238475      0.296203
  H      -1.321721     -5.503667      1.245464
  H      -2.443012     -6.252300      0.082682
  C      -1.945085     -2.518373      2.181603
  C      -0.766880     -2.473100      1.392097
  C       0.260882     -1.584406      1.654113
  C       0.151134     -0.684949      2.724334
  C      -0.998136     -0.678183      3.493260
  C      -2.077289     -1.562303      3.254469
  C      -3.284028     -1.510868      4.048033
  O      -4.140925     -2.502947      3.997335
  C      -3.707820     -0.438281      4.919899
  F      -4.905964     -0.751096      5.514880
  S      -3.066132      1.031527      5.278937
  C      -7.035502     -5.437213      3.061577
  C      -7.844309     -6.393033      3.722351
  C      -9.148416     -6.104363      4.085996
  C      -9.714519     -4.853221      3.790663
  C      -8.972347     -3.920592      3.087976
  C      -7.642710     -4.185769      2.692146
  C      -6.876022     -3.268489      1.871452
  O      -5.605667     -3.253175      1.902912
  C      -7.487734     -2.362117      0.880296
  F      -8.822682     -2.587941      0.685778
  S      -6.726023     -1.218106      0.007817
  C      -2.588539     -4.223089      5.723470
  C      -1.286543     -3.935662      6.187018
  C      -1.079968     -3.167672      7.325551
  C      -2.168710     -2.667431      8.048914
  C      -3.456752     -2.990137      7.649492
  C      -3.701807     -3.787890      6.514357
  C      -5.054905     -4.206818      6.166162
  O      -5.392296     -4.509140      4.960447
  C      -6.094534     -4.412150      7.166568
  F      -7.320965     -4.540904      6.576123
  S      -5.979653     -4.603695      8.791962
  H      -0.631879     -3.182909      0.578302
  H       1.158407     -1.604335      1.033568
  H       0.963747      0.004444      2.956370
  H      -1.095359      0.028393      4.314193
  H      -7.408858     -7.347302      4.016331
  H      -9.726946     -6.848145      4.636801
  H     -10.727808     -4.614982      4.114200
  H      -9.411463     -2.953553      2.852434
  H      -0.425362     -4.254430      5.601811
  H      -0.060009     -2.924590      7.628184
  H      -2.010107     -2.024537      8.914724
  H      -4.307845     -2.606846      8.207169
  N      -7.175133     -5.524090     -0.401014
  N      -8.079805     -5.914219     -0.893434
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835622198680
  N      -2.906830     -3.479722      1.941777
  C      -2.914323     -4.188628      0.662805
  C      -2.381224     -5.580730      0.947032
  N      -3.169343     -6.131925      2.085334
  C      -4.195339     -7.093298      1.619278
  C      -5.328966     -7.089396      2.618117
  N      -5.728143     -5.697273      2.750155
  Mo     -4.226945     -4.279015      3.224475
  N      -2.779255     -4.869158      4.503179
  C      -1.678714     -5.665468      3.973122
  C      -2.285494     -6.748720      3.106349
  H      -1.101958     -6.136774      4.783891
  H      -0.978984     -5.036450      3.391721
  H      -2.898467     -7.404710      3.739149
  H      -1.513554     -7.363670      2.614614
  H      -6.162573     -7.698093      2.233526
  H      -5.016733     -7.536689      3.581451
  H      -4.575345     -6.736696      0.652868
  H      -3.752824     -8.094084      1.481173
  H      -2.335291     -3.667954     -0.110891
  H      -3.950484     -4.238681      0.296718
  H      -1.324216     -5.517190      1.236096
  H      -2.456646     -6.249966      0.076802
  C      -1.946028     -2.518584      2.189872
  C      -0.765769     -2.475284      1.403558
  C       0.256964     -1.579641      1.660300
  C       0.138205     -0.671083      2.721875
  C      -1.012069     -0.664774      3.489226
  C      -2.085567     -1.558009      3.257668
  C      -3.292915     -1.512166      4.051698
  O      -4.145846     -2.507760      3.999193
  C      -3.721682     -0.444610      4.927692
  F      -4.923955     -0.761812      5.512791
  S      -3.083477      1.022586      5.302535
  C      -7.037931     -5.435551      3.065306
  C      -7.847894     -6.387579      3.729850
  C      -9.153159     -6.095687      4.087464
  C      -9.718179     -4.846447      3.782462
  C      -8.973693     -3.917414      3.077314
  C      -7.642661     -4.185412      2.688470
  C      -6.870895     -3.270201      1.870394
  O      -5.600207     -3.255451      1.908167
  C      -7.477854     -2.360423      0.880489
  F      -8.808310     -2.598349      0.667465
  S      -6.718043     -1.196005      0.033665
  C      -2.582193     -4.226291      5.720593
  C      -1.279087     -3.941927      6.182810
  C      -1.069585     -3.173293      7.320498
  C      -2.156491     -2.669416      8.044112
  C      -3.445668     -2.989571      7.646272
  C      -3.693888     -3.787690      6.512053
  C      -5.049034     -4.203734      6.168570
  O      -5.393093     -4.510562      4.966618
  C      -6.086144     -4.400226      7.174257
  F      -7.314943     -4.529542      6.588005
  S      -5.966180     -4.592277      8.799117
  H      -0.628637     -3.192339      0.596324
  H       1.157068     -1.601074      1.043601
  H       0.945026      0.026807      2.948792
  H      -1.114737      0.048323      4.303769
  H      -7.413334     -7.340571      4.029334
  H      -9.733929     -6.836032      4.640578
  H     -10.732741     -4.606833      4.100982
  H      -9.411480     -2.951635      2.833990
  H      -0.419588     -4.263745      5.596837
  H      -0.048775     -2.933250      7.622686
  H      -1.995980     -2.025808      8.909071
  H      -4.295133     -2.603235      8.204475
  N      -7.147099     -5.543021     -0.417154
  N      -8.052449     -5.935939     -0.913217
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835663728995
  N      -2.907240     -3.474477      1.943134
  C      -2.920093     -4.180348      0.662268
  C      -2.389185     -5.574606      0.940734
  N      -3.172391     -6.126766      2.082584
  C      -4.198009     -7.090265      1.619509
  C      -5.328972     -7.086394      2.621298
  N      -5.727137     -5.693990      2.752022
  Mo     -4.227432     -4.275268      3.225538
  N      -2.779662     -4.868378      4.503094
  C      -1.678069     -5.660470      3.968304
  C      -2.284467     -6.743126      3.100433
  H      -1.097659     -6.131908      4.776244
  H      -0.982813     -5.027332      3.385932
  H      -2.894939     -7.401255      3.733557
  H      -1.512813     -7.355878      2.605623
  H      -6.163637     -7.695297      2.239446
  H      -5.014423     -7.532491      3.584422
  H      -4.581666     -6.734674      0.654149
  H      -3.754034     -8.090243      1.480696
  H      -2.339376     -3.659131     -0.109640
  H      -3.958749     -4.223905      0.298500
  H      -1.330484     -5.514099      1.224486
  H      -2.472038     -6.242249      0.070227
  C      -1.945346     -2.514814      2.191911
  C      -0.765818     -2.470166      1.404416
  C       0.258455     -1.577080      1.663812
  C       0.142445     -0.673014      2.729568
  C      -1.007186     -0.667558      3.497913
  C      -2.082639     -1.557533      3.263087
  C      -3.289767     -1.511476      4.057105
  O      -4.144407     -2.505569      4.001986
  C      -3.716663     -0.445541      4.935875
  F      -4.917920     -0.763532      5.522692
  S      -3.075600      1.019355      5.314380
  C      -7.037477     -5.431185      3.065419
  C      -7.847329     -6.380986      3.733012
  C      -9.153161     -6.088357      4.087968
  C      -9.718303     -4.840723      3.776918
  C      -8.973713     -3.914067      3.068728
  C      -7.642033     -4.182769      2.682679
  C      -6.869392     -3.271493      1.860625
  O      -5.598707     -3.255087      1.903283
  C      -7.473833     -2.371994      0.860453
  F      -8.805510     -2.606832      0.651907
  S      -6.709121     -1.225235     -0.006432
  C      -2.582239     -4.227968      5.721484
  C      -1.278834     -3.944638      6.183842
  C      -1.068743     -3.177325      7.322189
  C      -2.155225     -2.673318      8.046354
  C      -3.444637     -2.992260      7.648404
  C      -3.693495     -3.789830      6.513778
  C      -5.048798     -4.204321      6.169750
  O      -5.393478     -4.508332      4.967296
  C      -6.085894     -4.404157      7.175243
  F      -7.314944     -4.528969      6.588676
  S      -5.966229     -4.603770      8.799068
  H      -0.630812     -3.184680      0.594669
  H       1.157926     -1.596967      1.046147
  H       0.951104      0.021907      2.959050
  H      -1.107712      0.042202      4.315631
  H      -7.412044     -7.332252      4.036899
  H      -9.734249     -6.826316      4.643908
  H     -10.733468     -4.600582      4.093179
  H      -9.411850     -2.949680      2.820629
  H      -0.419578     -4.265691      5.597136
  H      -0.047736     -2.937830      7.624151
  H      -1.994264     -2.030232      8.911593
  H      -4.293670     -2.605125      8.206518
  N      -7.160110     -5.584313     -0.393057
  N      -8.063417     -5.984173     -0.883239
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835687234541
  N      -2.907584     -3.470884      1.944202
  C      -2.924431     -4.174693      0.662164
  C      -2.396130     -5.570686      0.935885
  N      -3.175184     -6.123087      2.081343
  C      -4.200364     -7.089401      1.621915
  C      -5.328871     -7.084773      2.626821
  N      -5.726115     -5.691835      2.755236
  Mo     -4.228300     -4.272831      3.226480
  N      -2.779794     -4.867853      4.503038
  C      -1.677036     -5.655702      3.963996
  C      -2.283109     -6.738414      3.096153
  H      -1.092672     -6.126373      4.769356
  H      -0.986754     -5.018609      3.379914
  H      -2.891046     -7.398217      3.730107
  H      -1.511858     -7.349280      2.598513
  H      -6.164720     -7.694036      2.248346
  H      -5.011888     -7.528781      3.590084
  H      -4.587846     -6.735849      0.657365
  H      -3.754462     -8.088483      1.483374
  H      -2.341969     -3.653808     -0.108535
  H      -3.963842     -4.215958      0.299591
  H      -1.336125     -5.513415      1.215880
  H      -2.486114     -6.237133      0.065515
  C      -1.945541     -2.511670      2.192166
  C      -0.768049     -2.464554      1.401650
  C       0.256880     -1.572514      1.661653
  C       0.143872     -0.672483      2.731137
  C      -1.003921     -0.669013      3.502269
  C      -2.080523     -1.557418      3.266531
  C      -3.286622     -1.511887      4.062011
  O      -4.143106     -2.504622      4.004646
  C      -3.710942     -0.447918      4.944320
  F      -4.912539     -0.765217      5.530879
  S      -3.064865      1.012911      5.329496
  C      -7.037278     -5.427757      3.066549
  C      -7.846650     -6.374785      3.738287
  C      -9.153193     -6.081600      4.090250
  C      -9.718844     -4.836149      3.771810
  C      -8.974264     -3.912251      3.059993
  C      -7.641772     -4.181523      2.677067
  C      -6.868366     -3.273740      1.851564
  O      -5.597616     -3.256406      1.898672
  C      -7.470145     -2.382027      0.843591
  F      -8.802245     -2.615863      0.636080
  S      -6.701665     -1.247191     -0.036079
  C      -2.582239     -4.229444      5.722182
  C      -1.278812     -3.947141      6.185684
  C      -1.068889     -3.182331      7.325679
  C      -2.155404     -2.679906      8.051021
  C      -3.444698     -2.997625      7.652020
  C      -3.693505     -3.792341      6.515236
  C      -5.049045     -4.204744      6.170595
  O      -5.395120     -4.506432      4.967985
  C      -6.086041     -4.405179      7.176600
  F      -7.315535     -4.526668      6.590399
  S      -5.965969     -4.608250      8.799685
  H      -0.635602     -3.176900      0.589614
  H       1.154769     -1.589628      1.041602
  H       0.953730      0.020766      2.961461
  H      -1.101994      0.038019      4.322615
  H      -7.410131     -7.323703      4.047685
  H      -9.734416     -6.816683      4.649829
  H     -10.734801     -4.595680      4.085343
  H      -9.413003     -2.949612      2.806366
  H      -0.419369     -4.266840      5.598558
  H      -0.047876     -2.943586      7.628213
  H      -1.994683     -2.038953      8.917913
  H      -4.293740     -2.611468      8.210804
  N      -7.160479     -5.608326     -0.381625
  N      -8.064251     -6.010392     -0.867583
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835702482869
  N      -2.907525     -3.468965      1.945844
  C      -2.927025     -4.170708      0.662767
  C      -2.401864     -5.568413      0.932332
  N      -3.177957     -6.120811      2.080587
  C      -4.202842     -7.089655      1.624767
  C      -5.329051     -7.084239      2.632732
  N      -5.725657     -5.690836      2.759478
  Mo     -4.229624     -4.271703      3.227452
  N      -2.779943     -4.867862      4.502958
  C      -1.676360     -5.651958      3.960040
  C      -2.282330     -6.735074      3.092910
  H      -1.088206     -6.121727      4.763057
  H      -0.990561     -5.011611      3.374186
  H      -2.887782     -7.396223      3.727899
  H      -1.511378     -7.344378      2.592964
  H      -6.166067     -7.693776      2.257500
  H      -5.009571     -7.526371      3.595993
  H      -4.593597     -6.738337      0.660794
  H      -3.755173     -8.087988      1.486971
  H      -2.343610     -3.650643     -0.107609
  H      -3.966212     -4.211738      0.300732
  H      -1.340868     -5.514926      1.209637
  H      -2.498105     -6.233346      0.061718
  C      -1.945845     -2.509508      2.192891
  C      -0.769940     -2.460204      1.399934
  C       0.254978     -1.568275      1.659812
  C       0.143812     -0.670851      2.731629
  C      -1.002237     -0.669496      3.505330
  C      -2.079260     -1.557590      3.269799
  C      -3.284291     -1.513225      4.067022
  O      -4.142378     -2.504808      4.007377
  C      -3.706343     -0.451902      4.953561
  F      -4.909821     -0.767892      5.536984
  S      -3.055095      1.004039      5.348269
  C      -7.037662     -5.425589      3.068298
  C      -7.846896     -6.370022      3.743462
  C      -9.154303     -6.076474      4.091982
  C      -9.720338     -4.833088      3.766397
  C      -8.975330     -3.911757      3.051669
  C      -7.641857     -4.181490      2.672362
  C      -6.867489     -3.276563      1.844390
  O      -5.596598     -3.258719      1.895238
  C      -7.466755     -2.390432      0.830817
  F      -8.798876     -2.624449      0.622514
  S      -6.695840     -1.261988     -0.055322
  C      -2.581730     -4.230762      5.722374
  C      -1.278190     -3.948947      6.186293
  C      -1.068049     -3.185254      7.326933
  C      -2.154350     -2.683198      8.052966
  C      -3.443646     -3.000183      7.653683
  C      -3.692849     -3.794032      6.516219
  C      -5.048938     -4.204720      6.171861
  O      -5.397049     -4.504987      4.969558
  C      -6.085484     -4.405912      7.178867
  F      -7.315809     -4.521999      6.593487
  S      -5.964674     -4.613813      8.801021
  H      -0.639002     -3.171380      0.586711
  H       1.151587     -1.582912      1.037839
  H       0.954141      0.021845      2.961982
  H      -1.098505      0.035742      4.327398
  H      -7.409321     -7.316743      4.058104
  H      -9.735955     -6.808993      4.654446
  H     -10.737216     -4.592378      4.076798
  H      -9.414516     -2.950769      2.792695
  H      -0.418724     -4.267882      5.598799
  H      -0.046929     -2.946760      7.629303
  H      -1.993603     -2.042971      8.920416
  H      -4.292441     -2.613735      8.212550
  N      -7.156655     -5.622049     -0.379292
  N      -8.063133     -6.022461     -0.861973
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835714565923
  N      -2.907017     -3.467873      1.947617
  C      -2.927718     -4.166679      0.662997
  C      -2.407077     -5.566678      0.928703
  N      -3.181136     -6.118922      2.078746
  C      -4.206087     -7.089449      1.626355
  C      -5.329773     -7.083601      2.637411
  N      -5.726014     -5.689964      2.763717
  Mo     -4.231506     -4.270448      3.227687
  N      -2.780447     -4.867247      4.502092
  C      -1.676622     -5.648313      3.955425
  C      -2.282781     -6.732090      3.089411
  H      -1.084902     -6.117395      4.756206
  H      -0.994472     -5.005585      3.367939
  H      -2.885795     -7.394343      3.725530
  H      -1.511846     -7.340154      2.587919
  H      -6.167906     -7.693302      2.265120
  H      -5.007638     -7.524486      3.600306
  H      -4.599540     -6.739888      0.662922
  H      -3.757331     -8.087357      1.489162
  H      -2.342887     -3.647547     -0.106838
  H      -3.966672     -4.205383      0.300601
  H      -1.345127     -5.518013      1.203273
  H      -2.509145     -6.229306      0.057088
  C      -1.945597     -2.508334      2.195075
  C      -0.769978     -2.458165      1.401638
  C       0.254496     -1.565766      1.661286
  C       0.143152     -0.668583      2.733265
  C      -1.002286     -0.668396      3.507815
  C      -2.078891     -1.557280      3.272942
  C      -3.283527     -1.513784      4.070861
  O      -4.142991     -2.504272      4.008809
  C      -3.704102     -0.454819      4.960923
  F      -4.910653     -0.768677      5.539140
  S      -3.048137      0.996282      5.365835
  C      -7.038581     -5.423678      3.070362
  C      -7.847873     -6.365562      3.748708
  C      -9.155905     -6.071427      4.094417
  C      -9.722030     -4.829693      3.762637
  C      -8.976488     -3.910947      3.045060
  C      -7.642354     -4.181510      2.668642
  C      -6.867095     -3.279615      1.837885
  O      -5.596057     -3.260762      1.892133
  C      -7.464285     -2.399766      0.818427
  F      -8.796923     -2.632931      0.611204
  S      -6.691518     -1.278032     -0.074982
  C      -2.581003     -4.231292      5.721664
  C      -1.277220     -3.949984      6.185399
  C      -1.066398     -3.187896      7.326943
  C      -2.152155     -2.687207      8.054818
  C      -3.441598     -3.003698      7.655862
  C      -3.691543     -3.795215      6.516912
  C      -5.048119     -4.204390      6.173311
  O      -5.398689     -4.502980      4.971519
  C      -6.083591     -4.405364      7.182010
  F      -7.314947     -4.518241      6.598469
  S      -5.959941     -4.616262      8.803316
  H      -0.638820     -3.169353      0.588477
  H       1.150831     -1.579391      1.038888
  H       0.953107      0.024698      2.963195
  H      -1.098381      0.036633      4.330096
  H      -7.409654     -7.310496      4.067904
  H      -9.737999     -6.801701      4.659312
  H     -10.739515     -4.588288      4.070515
  H      -9.415866     -2.951320      2.781446
  H      -0.417961     -4.267965      5.597094
  H      -0.045054     -2.949759      7.628840
  H      -1.990904     -2.048540      8.923315
  H      -4.290077     -2.618338      8.216054
  N      -7.149149     -5.636638     -0.379205
  N      -8.059004     -6.034102     -0.858457
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835727730173
  N      -2.906339     -3.467202      1.949421
  C      -2.927477     -4.162867      0.663336
  C      -2.410853     -5.565006      0.925877
  N      -3.183810     -6.117235      2.076681
  C      -4.208984     -7.088615      1.626824
  C      -5.330218     -7.083259      2.640763
  N      -5.726425     -5.689648      2.768314
  Mo     -4.233721     -4.269260      3.228076
  N      -2.781471     -4.866503      4.501709
  C      -1.677592     -5.645076      3.951749
  C      -2.283718     -6.729487      3.086540
  H      -1.082893     -6.113809      4.750565
  H      -0.998178     -5.000485      3.363220
  H      -2.884568     -7.392857      3.723440
  H      -1.512364     -7.336401      2.584238
  H      -6.169334     -7.692864      2.270674
  H      -5.005474     -7.523878      3.602840
  H      -4.604589     -6.739824      0.664055
  H      -3.759591     -8.086249      1.489574
  H      -2.341975     -3.644764     -0.106611
  H      -3.966274     -4.199291      0.301192
  H      -1.348099     -5.520940      1.197938
  H      -2.517725     -6.225108      0.052897
  C      -1.945010     -2.507867      2.197864
  C      -0.769460     -2.457191      1.404304
  C       0.254703     -1.564409      1.663615
  C       0.143019     -0.666879      2.735284
  C      -1.002010     -0.667555      3.510373
  C      -2.078135     -1.557326      3.276372
  C      -3.282415     -1.514592      4.074872
  O      -4.143716     -2.503447      4.009693
  C      -3.701100     -0.458640      4.969477
  F      -4.911605     -0.769722      5.540878
  S      -3.039622      0.986508      5.387128
  C      -7.039495     -5.422684      3.072460
  C      -7.849217     -6.362494      3.752952
  C      -9.157716     -6.067727      4.096298
  C      -9.723516     -4.827027      3.759787
  C      -8.977231     -3.910526      3.040035
  C      -7.642646     -4.182057      2.665899
  C      -6.866612     -3.283295      1.832098
  O      -5.595338     -3.263452      1.888794
  C      -7.462217     -2.409754      0.807104
  F      -8.796008     -2.640303      0.603087
  S      -6.687704     -1.295849     -0.094971
  C      -2.580662     -4.231325      5.721244
  C      -1.276596     -3.950049      6.184234
  C      -1.064887     -3.188210      7.325730
  C      -2.149947     -2.687664      8.054779
  C      -3.439637     -3.004171      7.656761
  C      -3.690502     -3.795311      6.517744
  C      -5.047525     -4.203652      6.175128
  O      -5.400290     -4.500356      4.973808
  C      -6.081790     -4.406236      7.185350
  F      -7.314270     -4.514322      6.603708
  S      -5.955010     -4.622577      8.805513
  H      -0.637684     -3.168352      0.591193
  H       1.150905     -1.577677      1.041011
  H       0.952460      0.027243      2.964491
  H      -1.098157      0.037576      4.332593
  H      -7.410776     -7.306184      4.075661
  H      -9.740416     -6.796288      4.662748
  H     -10.741380     -4.584662      4.065642
  H      -9.416555     -2.951880      2.772801
  H      -0.417619     -4.267540      5.595249
  H      -0.043262     -2.949936      7.626577
  H      -1.987936     -2.049088      8.923184
  H      -4.287680     -2.618755      8.217565
  N      -7.145353     -5.650011     -0.383060
  N      -8.061424     -6.040486     -0.857200
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835742275188
  N      -2.906492     -3.466442      1.950272
  C      -2.927305     -4.159198      0.662838
  C      -2.414032     -5.563199      0.923176
  N      -3.186225     -6.115430      2.074039
  C      -4.211850     -7.086867      1.626044
  C      -5.330705     -7.082668      2.642567
  N      -5.727117     -5.689325      2.772579
  Mo     -4.236566     -4.267287      3.228024
  N      -2.783056     -4.864476      4.500971
  C      -1.679368     -5.641377      3.948495
  C      -2.285246     -6.726502      3.083925
  H      -1.082407     -6.109910      4.745815
  H      -1.001667     -4.995681      3.359288
  H      -2.884375     -7.390798      3.721366
  H      -1.513083     -7.332512      2.581685
  H      -6.170651     -7.692017      2.274010
  H      -5.003514     -7.523843      3.603504
  H      -4.609202     -6.737841      0.664119
  H      -3.762540     -8.084480      1.487947
  H      -2.340809     -3.641936     -0.106900
  H      -3.966092     -4.192227      0.300423
  H      -1.350543     -5.522849      1.192691
  H      -2.524398     -6.220932      0.048741
  C      -1.944589     -2.508105      2.200692
  C      -0.768371     -2.458173      1.408111
  C       0.256065     -1.565723      1.667457
  C       0.143817     -0.667017      2.738122
  C      -1.001516     -0.667344      3.512697
  C      -2.077480     -1.557536      3.279322
  C      -3.281757     -1.514569      4.077791
  O      -4.145595     -2.501035      4.009103
  C      -3.698108     -0.461381      4.976919
  F      -4.912786     -0.768979      5.541325
  S      -3.030440      0.977227      5.407766
  C      -7.040511     -5.422102      3.074736
  C      -7.850480     -6.360385      3.756913
  C      -9.159134     -6.065000      4.099072
  C      -9.724555     -4.824860      3.759515
  C      -8.977945     -3.910185      3.037685
  C      -7.643313     -4.182663      2.664511
  C      -6.867048     -3.287107      1.827053
  O      -5.595501     -3.265839      1.885267
  C      -7.461858     -2.421100      0.795993
  F      -8.797461     -2.647273      0.598082
  S      -6.685679     -1.318214     -0.118617
  C      -2.580880     -4.229894      5.720484
  C      -1.276502     -3.948448      6.182402
  C      -1.063875     -3.187228      7.324129
  C      -2.148195     -2.687747      8.055033
  C      -3.438159     -3.004636      7.658244
  C      -3.689872     -3.794447      6.518579
  C      -5.047118     -4.202519      6.176916
  O      -5.401745     -4.496622      4.975889
  C      -6.079840     -4.407256      7.188717
  F      -7.313343     -4.512945      6.609387
  S      -5.948545     -4.628314      8.807745
  H      -0.635555     -3.169409      0.595196
  H       1.152646     -1.580121      1.045421
  H       0.952902      0.027705      2.966755
  H      -1.098084      0.038413      4.334373
  H      -7.412018     -7.303348      4.081878
  H      -9.742122     -6.792406      4.666682
  H     -10.742420     -4.581344      4.064446
  H      -9.417292     -2.952239      2.768001
  H      -0.417860     -4.265101      5.592472
  H      -0.041975     -2.948729      7.623864
  H      -1.985256     -2.049808      8.923712
  H      -4.285861     -2.620304      8.220400
  N      -7.137056     -5.662194     -0.389842
  N      -8.061197     -6.042724     -0.856850
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835759695698
  N      -2.907545     -3.465766      1.950060
  C      -2.927959     -4.156984      0.662189
  C      -2.415296     -5.561667      0.921918
  N      -3.187115     -6.114151      2.072166
  C      -4.213193     -7.084866      1.624587
  C      -5.330540     -7.082547      2.642649
  N      -5.727383     -5.689686      2.776117
  Mo     -4.239275     -4.265340      3.228052
  N      -2.784933     -4.861954      4.500828
  C      -1.681370     -5.638335      3.947591
  C      -2.286422     -6.724009      3.082979
  H      -1.083712     -6.106891      4.744447
  H      -1.003805     -4.992450      3.358482
  H      -2.884883     -7.388924      3.720340
  H      -1.513113     -7.329464      2.581752
  H      -6.170906     -7.691428      2.274282
  H      -5.001758     -7.525276      3.602295
  H      -4.611521     -6.734369      0.663601
  H      -3.764588     -8.082623      1.484710
  H      -2.341498     -3.639992     -0.107810
  H      -3.966860     -4.188123      0.300202
  H      -1.351348     -5.522474      1.189584
  H      -2.526573     -6.218101      0.046482
  C      -1.944602     -2.508976      2.202389
  C      -0.768044     -2.460127      1.410305
  C       0.257358     -1.568733      1.669543
  C       0.145543     -0.669123      2.739548
  C      -0.999903     -0.668551      3.513906
  C      -2.076322     -1.558459      3.281303
  C      -3.280379     -1.514665      4.080015
  O      -4.147538     -2.497946      4.007514
  C      -3.693439     -0.464360      4.984301
  F      -4.912087     -0.768124      5.542263
  S      -3.018603      0.966847      5.428806
  C      -7.041045     -5.422804      3.076607
  C      -7.851207     -6.360636      3.759160
  C      -9.159762     -6.064780      4.101246
  C      -9.724687     -4.824519      3.761109
  C      -8.978076     -3.910691      3.038141
  C      -7.643708     -4.183842      2.664666
  C      -6.867698     -3.290890      1.823859
  O      -5.595810     -3.268473      1.881983
  C      -7.462609     -2.431141      0.788239
  F      -8.800233     -2.651867      0.597648
  S      -6.685036     -1.339525     -0.139142
  C      -2.582020     -4.227454      5.720292
  C      -1.277454     -3.945290      6.181104
  C      -1.064319     -3.183781      7.322560
  C      -2.148181     -2.684817      8.054488
  C      -3.438316     -3.002600      7.658912
  C      -3.690440     -3.792396      6.519424
  C      -5.047701     -4.201009      6.178333
  O      -5.403158     -4.492400      4.977256
  C      -6.079145     -4.409289      7.190985
  F      -7.313297     -4.513491      6.613364
  S      -5.944000     -4.635326      8.808973
  H      -0.635035     -3.170939      0.597007
  H       1.154038     -1.584883      1.047696
  H       0.954704      0.025720      2.967518
  H      -1.096332      0.037722      4.335195
  H      -7.412977     -7.303598      4.084559
  H      -9.742838     -6.791886      4.669134
  H     -10.742257     -4.579995      4.066211
  H      -9.417441     -2.952965      2.767734
  H      -0.419021     -4.261323      5.590535
  H      -0.042273     -2.944599      7.621254
  H      -1.984574     -2.046552      8.922789
  H      -4.285857     -2.618778      8.221677
  N      -7.128864     -5.667128     -0.401242
  N      -8.064467     -6.032964     -0.857504
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835781923972
  N      -2.909738     -3.465156      1.948750
  C      -2.929966     -4.156441      0.661197
  C      -2.415832     -5.560766      0.921589
  N      -3.187093     -6.113599      2.071167
  C      -4.213591     -7.083284      1.623279
  C      -5.330294     -7.082734      2.641884
  N      -5.727543     -5.690380      2.778445
  Mo     -4.241768     -4.263425      3.227810
  N      -2.786883     -4.859063      4.500565
  C      -1.683317     -5.635794      3.948103
  C      -2.287231     -6.722025      3.083255
  H      -1.086126     -6.104236      4.745419
  H      -1.004890     -4.990495      3.359313
  H      -2.885900     -7.387096      3.720278
  H      -1.512778     -7.327322      2.583557
  H      -6.170712     -7.691174      2.272866
  H      -5.000854     -7.527259      3.600474
  H      -4.612383     -6.730854      0.663171
  H      -3.766133     -8.081321      1.481261
  H      -2.343839     -3.638936     -0.108810
  H      -3.969110     -4.186702      0.299441
  H      -1.351652     -5.520345      1.188132
  H      -2.525858     -6.217124      0.045829
  C      -1.945393     -2.510244      2.202700
  C      -0.768656     -2.462963      1.410807
  C       0.258206     -1.573142      1.669764
  C       0.147451     -0.672717      2.739217
  C      -0.997965     -0.670674      3.513564
  C      -2.075346     -1.559777      3.281956
  C      -3.279003     -1.514626      4.081187
  O      -4.149860     -2.494360      4.005060
  C      -3.688239     -0.466943      4.990556
  F      -4.910413     -0.766765      5.543090
  S      -3.005710      0.956468      5.448099
  C      -7.041387     -5.424197      3.078163
  C      -7.851314     -6.362365      3.760557
  C      -9.159596     -6.066266      4.103567
  C      -9.724287     -4.825660      3.764472
  C      -8.978247     -3.911852      3.040826
  C      -7.644348     -4.185241      2.666057
  C      -6.869050     -3.293995      1.822574
  O      -5.596855     -3.270525      1.879762
  C      -7.464662     -2.439259      0.783625
  F      -8.804061     -2.654780      0.600170
  S      -6.685992     -1.358329     -0.155784
  C      -2.583842     -4.224246      5.720034
  C      -1.279179     -3.940992      6.179807
  C      -1.065948     -3.179229      7.321123
  C      -2.149654     -2.681308      8.053965
  C      -3.439831     -3.000297      7.659426
  C      -3.691930     -3.789939      6.519931
  C      -5.049053     -4.199460      6.179030
  O      -5.404582     -4.488253      4.977640
  C      -6.079465     -4.411185      7.192046
  F      -7.313838     -4.516319      6.615581
  S      -5.941173     -4.640352      8.809357
  H      -0.636299     -3.173339      0.597011
  H       1.154833     -1.591564      1.047910
  H       0.957019      0.021863      2.966525
  H      -1.093862      0.036178      4.334448
  H      -7.413255     -7.305698      4.085149
  H      -9.742346     -6.793650      4.671433
  H     -10.741389     -4.580510      4.070646
  H      -9.417813     -2.954108      2.770869
  H      -0.420890     -4.256252      5.588622
  H      -0.043902     -2.939112      7.619063
  H      -1.985711     -2.042817      8.922035
  H      -4.287410     -2.617395      8.222789
  N      -7.111873     -5.663230     -0.415572
  N      -8.061098     -6.011871     -0.856669
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7275.805925568851
  N      -2.911980     -3.465286      1.946762
  C      -2.932721     -4.159121      0.660739
  C      -2.414073     -5.561485      0.923618
  N      -3.185146     -6.114771      2.072559
  C      -4.211657     -7.083472      1.623192
  C      -5.329458     -7.083869      2.640486
  N      -5.727036     -5.691846      2.778280
  Mo     -4.242395     -4.262966      3.227609
  N      -2.788110     -4.857542      4.501074
  C      -1.684170     -5.635710      3.951494
  C      -2.286782     -6.722269      3.086061
  H      -1.089150     -6.103945      4.750540
  H      -1.003659     -4.991829      3.363469
  H      -2.886880     -7.386825      3.722378
  H      -1.511574     -7.327983      2.588047
  H      -6.169236     -7.692175      2.269716
  H      -5.001132     -7.529726      3.598886
  H      -4.609765     -6.729379      0.663361
  H      -3.765248     -8.081785      1.479622
  H      -2.348572     -3.640203     -0.109924
  H      -3.972346     -4.191725      0.300175
  H      -1.350225     -5.516659      1.190979
  H      -2.519900     -6.219717      0.048705
  C      -1.946724     -2.511400      2.200432
  C      -0.770876     -2.464820      1.407083
  C       0.257145     -1.575966      1.664794
  C       0.148235     -0.675388      2.734303
  C      -0.996239     -0.672538      3.509999
  C      -2.074501     -1.561109      3.280159
  C      -3.277152     -1.515105      4.080765
  O      -4.150623     -2.492332      4.002584
  C      -3.683067     -0.469247      4.993938
  F      -4.907398     -0.766213      5.543464
  S      -2.994209      0.947955      5.460607
  C      -7.040947     -5.426586      3.078270
  C      -7.850521     -6.366133      3.759267
  C      -9.158466     -6.070161      4.103844
  C      -9.723126     -4.828855      3.767786
  C      -8.977820     -3.913815      3.044931
  C      -7.644379     -4.186818      2.668358
  C      -6.869897     -3.295151      1.824634
  O      -5.597523     -3.271684      1.879821
  C      -7.466669     -2.440179      0.786485
  F      -8.806767     -2.653050      0.606437
  S      -6.687740     -1.362771     -0.156972
  C      -2.586105     -4.221857      5.720582
  C      -1.281604     -3.937433      6.180076
  C      -1.069029     -3.174968      7.321085
  C      -2.153167     -2.677581      8.053571
  C      -3.443144     -2.997668      7.659188
  C      -3.694486     -3.787964      6.520018
  C      -5.051300     -4.198357      6.178424
  O      -5.405558     -4.486024      4.976420
  C      -6.081821     -4.411990      7.190629
  F      -7.315651     -4.519784      6.613591
  S      -5.943727     -4.640807      8.808127
  H      -0.640517     -3.174805      0.592643
  H       1.152960     -1.595609      1.041813
  H       0.958234      0.019050      2.960531
  H      -1.090995      0.034593      4.330810
  H      -7.412658     -7.310298      4.081606
  H      -9.740770     -6.798585      4.670857
  H     -10.739793     -4.583887      4.075571
  H      -9.417497     -2.955571      2.777014
  H      -0.423214     -4.252408      5.588910
  H      -0.047219     -2.933882      7.619044
  H      -1.989653     -2.038410      8.921217
  H      -4.291058     -2.615025      8.222201
  N      -7.094952     -5.646902     -0.429761
  N      -8.057508     -5.979003     -0.853819
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835815991612
  N      -2.915283     -3.466822      1.942028
  C      -2.938678     -4.169898      0.661267
  C      -2.404574     -5.565262      0.932353
  N      -3.176291     -6.120268      2.079832
  C      -4.201762     -7.086927      1.624248
  C      -5.325962     -7.087563      2.634227
  N      -5.724114     -5.695908      2.770409
  Mo     -4.237702     -4.265631      3.227119
  N      -2.787700     -4.857652      4.504003
  C      -1.682598     -5.641492      3.964469
  C      -2.282508     -6.727660      3.096460
  H      -1.095972     -6.109850      4.769522
  H      -0.994715     -5.002362      3.379561
  H      -2.888255     -7.389856      3.730247
  H      -1.506779     -7.335454      2.601947
  H      -6.162661     -7.696311      2.256952
  H      -5.004216     -7.535318      3.594175
  H      -4.595185     -6.730027      0.663335
  H      -3.757301     -8.085864      1.479115
  H      -2.362014     -3.645776     -0.111810
  H      -3.980243     -4.211770      0.305281
  H      -1.342673     -5.504941      1.205037
  H      -2.495586     -6.230806      0.061333
  C      -1.949367     -2.513027      2.191690
  C      -0.776490     -2.466617      1.393721
  C       0.253229     -1.578859      1.648707
  C       0.148696     -0.679685      2.719820
  C      -0.993439     -0.675775      3.498965
  C      -2.073426     -1.562876      3.271719
  C      -3.274250     -1.515656      4.074534
  O      -4.148336     -2.492067      3.998140
  C      -3.677824     -0.468321      4.987260
  F      -4.899898     -0.765686      5.541991
  S      -2.986724      0.948499      5.449615
  C      -7.037414     -5.432720      3.073794
  C      -7.846834     -6.377474      3.748215
  C      -9.153769     -6.082082      4.097472
  C      -9.718127     -4.837935      3.773106
  C      -8.973982     -3.917517      3.056065
  C      -7.641573     -4.188848      2.674656
  C      -6.868560     -3.291309      1.836710
  O      -5.596255     -3.270655      1.884785
  C      -7.468973     -2.422339      0.810775
  F      -8.807482     -2.638011      0.626991
  S      -6.692383     -1.331030     -0.118014
  C      -2.590261     -4.219417      5.723793
  C      -1.286587     -3.933117      6.184448
  C      -1.076756     -3.168484      7.324592
  C      -2.162983     -2.670901      8.053544
  C      -3.452150     -2.992548      7.657428
  C      -3.700518     -3.785540      6.519472
  C      -5.056075     -4.198096      6.174409
  O      -5.403998     -4.487707      4.970426
  C      -6.089757     -4.411306      7.181885
  F      -7.320450     -4.529842      6.599295
  S      -5.960462     -4.630041      8.802061
  H      -0.652044     -3.175858      0.577779
  H       1.146837     -1.599114      1.022599
  H       0.959939      0.013769      2.944689
  H      -1.085560      0.030972      4.320470
  H      -7.410259     -7.324983      4.061913
  H      -9.735410     -6.814537      4.660055
  H     -10.733846     -4.594788      4.085475
  H      -9.413060     -2.956698      2.796617
  H      -0.427519     -4.248933      5.594785
  H      -0.055876     -2.926008      7.624567
  H      -2.001820     -2.029845      8.920209
  H      -4.301470     -2.609902      8.218414
  N      -7.094608     -5.604355     -0.442493
  N      -8.070059     -5.916138     -0.849091
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835855772013
  N      -2.913336     -3.465832      1.946121
  C      -2.936280     -4.162938      0.661264
  C      -2.414434     -5.563474      0.925169
  N      -3.184339     -6.116731      2.074938
  C      -4.210618     -7.085669      1.625408
  C      -5.329581     -7.085057      2.641479
  N      -5.726744     -5.692823      2.777164
  Mo     -4.241902     -4.263290      3.227086
  N      -2.788963     -4.858087      4.501187
  C      -1.684193     -5.636677      3.953848
  C      -2.286035     -6.723605      3.088377
  H      -1.090451     -6.104132      4.754207
  H      -1.003181     -4.993410      3.365630
  H      -2.887200     -7.387492      3.724525
  H      -1.510983     -7.329672      2.590642
  H      -6.168833     -7.693752      2.270116
  H      -5.002673     -7.530420      3.600660
  H      -4.608708     -6.731738      0.665492
  H      -3.764370     -8.083986      1.481675
  H      -2.353905     -3.641995     -0.109362
  H      -3.976712     -4.198097      0.303131
  H      -1.350779     -5.515250      1.193146
  H      -2.518002     -6.223827      0.051712
  C      -1.948271     -2.511414      2.197706
  C      -0.774314     -2.464420      1.401323
  C       0.253647     -1.574743      1.655963
  C       0.146228     -0.673775      2.725202
  C      -0.995937     -0.671701      3.504223
  C      -2.074131     -1.561574      3.278322
  C      -3.274834     -1.516678      4.082041
  O      -4.150058     -2.492353      4.001272
  C      -3.677716     -0.474626      5.001010
  F      -4.905609     -0.768687      5.544499
  S      -2.980995      0.933137      5.483458
  C      -7.040828     -5.427669      3.077895
  C      -7.849646     -6.367738      3.758968
  C      -9.157523     -6.071899      4.104248
  C      -9.722605     -4.830782      3.769093
  C      -8.978073     -3.915019      3.046309
  C      -7.644783     -4.187613      2.668909
  C      -6.870444     -3.294922      1.826235
  O      -5.598099     -3.271645      1.882006
  C      -7.466643     -2.438984      0.788472
  F      -8.806508     -2.651367      0.607543
  S      -6.686362     -1.362734     -0.155417
  C      -2.588137     -4.221420      5.720713
  C      -1.283794     -3.935601      6.180089
  C      -1.072035     -3.172556      7.320839
  C      -2.156779     -2.676067      8.053010
  C      -3.446435     -2.997184      7.658581
  C      -3.696976     -3.788014      6.519493
  C      -5.053745     -4.198110      6.177015
  O      -5.407104     -4.485500      4.974599
  C      -6.084956     -4.411440      7.188387
  F      -7.318166     -4.520883      6.610095
  S      -5.949150     -4.638959      8.806293
  H      -0.646817     -3.175215      0.587212
  H       1.147949     -1.593904      1.030808
  H       0.955786      0.021971      2.949059
  H      -1.089363      0.035912      4.324781
  H      -7.411392     -7.311860      4.080753
  H      -9.739326     -6.800513      4.671562
  H     -10.739202     -4.586447      4.077661
  H      -9.417841     -2.956646      2.779186
  H      -0.425358     -4.250178      5.588824
  H      -0.050548     -2.930234      7.618894
  H      -1.994073     -2.036325      8.920408
  H      -4.294651     -2.614785      8.221227
  N      -7.062140     -5.629736     -0.443682
  N      -8.040733     -5.947971     -0.839537
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835882640416
  N      -2.913788     -3.466604      1.946012
  C      -2.936823     -4.164731      0.661392
  C      -2.414916     -5.564781      0.926245
  N      -3.185159     -6.117617      2.076149
  C      -4.211187     -7.087195      1.627525
  C      -5.330055     -7.085604      2.643760
  N      -5.727276     -5.693173      2.778112
  Mo     -4.242702     -4.263423      3.227365
  N      -2.789842     -4.858493      4.501515
  C      -1.684791     -5.636868      3.954356
  C      -2.286651     -6.724243      3.089578
  H      -1.090852     -6.103792      4.754878
  H      -1.004113     -4.993582      3.365847
  H      -2.887369     -7.388081      3.726142
  H      -1.511556     -7.330230      2.591792
  H      -6.169329     -7.694736      2.273222
  H      -5.003032     -7.529748      3.603450
  H      -4.609238     -6.734744      0.667107
  H      -3.764373     -8.085464      1.485255
  H      -2.355696     -3.644342     -0.110462
  H      -3.977326     -4.201804      0.303640
  H      -1.351562     -5.516308      1.195427
  H      -2.517969     -6.225690      0.053158
  C      -1.949218     -2.511277      2.195751
  C      -0.776909     -2.462817      1.396897
  C       0.250261     -1.571602      1.649075
  C       0.143662     -0.670286      2.718073
  C      -0.996620     -0.669893      3.499786
  C      -2.073887     -1.561690      3.276926
  C      -3.272845     -1.518030      4.083233
  O      -4.149073     -2.492872      4.001655
  C      -3.673240     -0.478261      5.005836
  F      -4.904067     -0.768847      5.544529
  S      -2.970535      0.923073      5.498404
  C      -7.041627     -5.427895      3.078348
  C      -7.850431     -6.367638      3.759796
  C      -9.158648     -6.072218      4.104159
  C      -9.724071     -4.831625      3.767609
  C      -8.979334     -3.916092      3.044719
  C      -7.645622     -4.188290      2.668512
  C      -6.871102     -3.295166      1.826402
  O      -5.598722     -3.271734      1.883231
  C      -7.466745     -2.438835      0.788931
  F      -8.806786     -2.650491      0.608071
  S      -6.685935     -1.362969     -0.155064
  C      -2.589022     -4.221802      5.721045
  C      -1.284740     -3.935855      6.180539
  C      -1.072977     -3.173423      7.321653
  C      -2.157731     -2.677685      8.054344
  C      -3.447307     -2.998705      7.659735
  C      -3.697860     -3.788683      6.520016
  C      -5.054775     -4.197819      6.177332
  O      -5.408561     -4.484804      4.974938
  C      -6.086118     -4.410458      7.188826
  F      -7.319489     -4.518465      6.610548
  S      -5.950649     -4.638129      8.806652
  H      -0.650172     -3.173823      0.582873
  H       1.143218     -1.589356      1.021955
  H       0.952504      0.027003      2.939719
  H      -1.089227      0.037799      4.320418
  H      -7.411837     -7.311272      4.082557
  H      -9.740576     -6.800655      4.671561
  H     -10.741050     -4.587638      4.075187
  H      -9.419283     -2.958071      2.776562
  H      -0.426275     -4.249968      5.589057
  H      -0.051507     -2.930944      7.619632
  H      -1.995148     -2.038463      8.922135
  H      -4.295475     -2.616475      8.222518
  N      -7.035929     -5.618975     -0.455100
  N      -8.023629     -5.933457     -0.831880
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835754681793
  N      -2.901668     -3.474737      1.954910
  C      -2.929041     -4.172706      0.669365
  C      -2.413619     -5.574294      0.932327
  N      -3.188378     -6.125542      2.086898
  C      -4.209892     -7.105177      1.645801
  C      -5.331976     -7.088123      2.659827
  N      -5.728489     -5.692260      2.768481
  Mo     -4.230147     -4.276350      3.229504
  N      -2.782834     -4.876311      4.506723
  C      -1.676247     -5.651553      3.954605
  C      -2.283568     -6.738551      3.093897
  H      -1.078062     -6.117194      4.752645
  H      -1.001858     -5.004218      3.364011
  H      -2.878883     -7.402721      3.734563
  H      -1.513558     -7.343649      2.587310
  H      -6.170495     -7.703219      2.297823
  H      -5.007823     -7.514555      3.628362
  H      -4.603341     -6.774042      0.676390
  H      -3.753195     -8.101668      1.526467
  H      -2.357092     -3.656648     -0.111387
  H      -3.972301     -4.213876      0.318061
  H      -1.352490     -5.531724      1.210668
  H      -2.522016     -6.236520      0.061279
  C      -1.948210     -2.503442      2.185485
  C      -0.785634     -2.438182      1.373402
  C       0.228265     -1.529294      1.614866
  C       0.119049     -0.630178      2.685448
  C      -1.011992     -0.647258      3.480275
  C      -2.077432     -1.554609      3.266676
  C      -3.270167     -1.525352      4.081587
  O      -4.129346     -2.516310      4.017079
  C      -3.680423     -0.480481      4.992325
  F      -4.906831     -0.776157      5.536725
  S      -2.991010      0.936907      5.459273
  C      -7.042398     -5.421627      3.069603
  C      -7.854963     -6.356503      3.753052
  C      -9.166365     -6.063000      4.085872
  C      -9.732860     -4.826054      3.735591
  C      -8.981478     -3.913070      3.016676
  C      -7.643045     -4.183969      2.655381
  C      -6.861743     -3.280020      1.832078
  O      -5.590972     -3.261876      1.900583
  C      -7.449212     -2.393904      0.814149
  F      -8.778941     -2.632065      0.589448
  S      -6.673422     -1.254983     -0.054275
  C      -2.582619     -4.242287      5.726637
  C      -1.279194     -3.961834      6.191895
  C      -1.067352     -3.204167      7.335645
  C      -2.152838     -2.707040      8.066507
  C      -3.441918     -3.021114      7.665574
  C      -3.692865     -3.806677      6.522259
  C      -5.050248     -4.206637      6.176581
  O      -5.403880     -4.506706      4.975810
  C      -6.089306     -4.395269      7.185059
  F      -7.321634     -4.491008      6.598723
  S      -5.975261     -4.605204      8.806517
  H      -0.657569     -3.152300      0.562357
  H       1.114774     -1.526919      0.978365
  H       0.921133      0.077383      2.899020
  H      -1.104248      0.056773      4.304347
  H      -7.415877     -7.296423      4.085781
  H      -9.752516     -6.788550      4.652537
  H     -10.754206     -4.585602      4.031027
  H      -9.419386     -2.956235      2.740269
  H      -0.419873     -4.277455      5.602304
  H      -0.045838     -2.966323      7.637156
  H      -1.992351     -2.072314      8.937784
  H      -4.289936     -2.637148      8.227798
  N      -7.021112     -5.643941     -0.420900
  N      -8.010490     -5.962770     -0.789713
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835925487854
  N      -2.910803     -3.470610      1.947399
  C      -2.935623     -4.171624      0.663557
  C      -2.412394     -5.570262      0.930771
  N      -3.184672     -6.121995      2.081678
  C      -4.209264     -7.093995      1.633791
  C      -5.330964     -7.086686      2.646983
  N      -5.727974     -5.693074      2.771962
  Mo     -4.237759     -4.267980      3.227734
  N      -2.788007     -4.864604      4.503978
  C      -1.682286     -5.643568      3.957951
  C      -2.285423     -6.730731      3.093979
  H      -1.089087     -6.110008      4.759261
  H      -1.001692     -5.000286      3.369499
  H      -2.885847     -7.393980      3.731299
  H      -1.511884     -7.337123      2.594340
  H      -6.169279     -7.697809      2.277514
  H      -5.007012     -7.525255      3.610268
  H      -4.604041     -6.747832      0.669833
  H      -3.760148     -8.092192      1.499237
  H      -2.358701     -3.652008     -0.111739
  H      -3.977342     -4.211820      0.308528
  H      -1.350243     -5.520088      1.204125
  H      -2.513791     -6.233701      0.059510
  C      -1.949888     -2.509462      2.189421
  C      -0.781529     -2.455966      1.385066
  C       0.241242     -1.558166      1.631407
  C       0.134354     -0.656164      2.699754
  C      -1.002031     -0.661224      3.487122
  C      -2.075191     -1.559176      3.269964
  C      -3.271114     -1.520340      4.080828
  O      -4.142014     -2.500311      4.005421
  C      -3.673981     -0.479546      5.000895
  F      -4.903246     -0.772264      5.541562
  S      -2.974569      0.925458      5.488148
  C      -7.041859     -5.426694      3.074267
  C      -7.851232     -6.366251      3.755386
  C      -9.160080     -6.071949      4.098087
  C      -9.726237     -4.831833      3.760558
  C      -8.980210     -3.915580      3.040033
  C      -7.645488     -4.186741      2.666239
  C      -6.869114     -3.287656      1.832476
  O      -5.597332     -3.266304      1.892118
  C      -7.462392     -2.418210      0.803858
  F      -8.798425     -2.640471      0.605821
  S      -6.683455     -1.316149     -0.109983
  C      -2.588527     -4.228253      5.723748
  C      -1.284695     -3.943849      6.185449
  C      -1.073489     -3.182910      7.327526
  C      -2.158919     -2.686700      8.058929
  C      -3.448190     -3.005332      7.661594
  C      -3.698308     -3.794409      6.520915
  C      -5.055151     -4.200828      6.176144
  O      -5.406989     -4.492459      4.973776
  C      -6.090232     -4.405980      7.185182
  F      -7.322460     -4.510914      6.602592
  S      -5.964068     -4.628288      8.804498
  H      -0.655048     -3.168695      0.572555
  H       1.131498     -1.570007      1.000304
  H       0.940588      0.045603      2.916762
  H      -1.094260      0.046438      4.307851
  H      -7.412512     -7.309504      4.078985
  H      -9.742596     -6.800642      4.664551
  H     -10.744173     -4.589464      4.066170
  H      -9.419627     -2.957201      2.772249
  H      -0.425783     -4.258538      5.594891
  H      -0.052192     -2.941889      7.627255
  H      -1.997422     -2.048878      8.927924
  H      -4.296583     -2.622467      8.223699
  N      -7.009371     -5.612693     -0.453348
  N      -8.004173     -5.926737     -0.810939
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835947179243
  N      -2.912051     -3.470460      1.946806
  C      -2.938105     -4.172131      0.663164
  C      -2.413358     -5.570108      0.930603
  N      -3.184832     -6.121842      2.081754
  C      -4.209370     -7.093763      1.633748
  C      -5.331234     -7.086368      2.646523
  N      -5.728332     -5.692793      2.771336
  Mo     -4.238396     -4.267136      3.227683
  N      -2.788823     -4.863772      4.504084
  C      -1.682918     -5.642698      3.958302
  C      -2.285537     -6.730070      3.094179
  H      -1.089777     -6.108963      4.759737
  H      -1.002323     -4.999358      3.369865
  H      -2.885946     -7.393479      3.731395
  H      -1.511715     -7.336267      2.594757
  H      -6.169428     -7.697536      2.276803
  H      -5.007591     -7.524987      3.609908
  H      -4.603898     -6.747419      0.669765
  H      -3.760556     -8.092096      1.499161
  H      -2.362108     -3.652263     -0.112689
  H      -3.980182     -4.212395      0.309789
  H      -1.351055     -5.518615      1.203121
  H      -2.514428     -6.234031      0.059665
  C      -1.950595     -2.509802      2.188445
  C      -0.783050     -2.456459      1.382955
  C       0.240408     -1.559217      1.628509
  C       0.134953     -0.657451      2.697204
  C      -1.000515     -0.662497      3.485901
  C      -2.074179     -1.560159      3.269877
  C      -3.269198     -1.521101      4.082137
  O      -4.141991     -2.499268      4.005194
  C      -3.669448     -0.482080      5.005555
  F      -4.900258     -0.772650      5.543895
  S      -2.965641      0.918267      5.499757
  C      -7.042282     -5.426721      3.073865
  C      -7.851452     -6.366635      3.754763
  C      -9.160418     -6.072721      4.097449
  C      -9.726953     -4.832788      3.760020
  C      -8.981154     -3.916153      3.039742
  C      -7.646281     -4.186740      2.666262
  C      -6.870101     -3.287122      1.833013
  O      -5.598308     -3.265258      1.893004
  C      -7.463661     -2.417572      0.804761
  F      -8.799839     -2.639572      0.607548
  S      -6.684688     -1.316897     -0.110832
  C      -2.589578     -4.227416      5.723944
  C      -1.285804     -3.942172      6.185326
  C      -1.074854     -3.180963      7.327284
  C      -2.160445     -2.685304      8.058823
  C      -3.449608     -3.004712      7.661778
  C      -3.699461     -3.793923      6.521148
  C      -5.056169     -4.200616      6.176153
  O      -5.407611     -4.491524      4.973567
  C      -6.091461     -4.406048      7.184918
  F      -7.323556     -4.511055      6.602159
  S      -5.965206     -4.629007      8.804153
  H      -0.657611     -3.168719      0.569867
  H       1.130017     -1.571452      0.996506
  H       0.941495      0.044224      2.913368
  H      -1.091684      0.044941      4.306975
  H      -7.412678     -7.309961      4.078056
  H      -9.742728     -6.801752      4.663690
  H     -10.745024     -4.590756      4.065454
  H      -9.420945     -2.957944      2.771839
  H      -0.426820     -4.256240      5.594561
  H      -0.053651     -2.939238      7.626769
  H      -1.999103     -2.047153      8.927601
  H      -4.298137     -2.622112      8.223837
  N      -6.991702     -5.609585     -0.459992
  N      -7.991775     -5.929196     -0.797098
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835960355757
  N      -2.916605     -3.469733      1.942366
  C      -2.944449     -4.173271      0.660561
  C      -2.412035     -5.568545      0.931221
  N      -3.181574     -6.120775      2.082382
  C      -4.205972     -7.091686      1.631624
  C      -5.330537     -7.084562      2.640783
  N      -5.728805     -5.691230      2.764918
  Mo     -4.238102     -4.265318      3.227731
  N      -2.788441     -4.859584      4.505159
  C      -1.682583     -5.640189      3.961566
  C      -2.283435     -6.727541      3.096090
  H      -1.091217     -6.106574      4.764197
  H      -0.999991     -4.997817      3.374105
  H      -2.885325     -7.391054      3.732112
  H      -1.508610     -7.333822      2.598404
  H      -6.167577     -7.695729      2.268138
  H      -5.009622     -7.524064      3.604781
  H      -4.597730     -6.743278      0.667215
  H      -3.759059     -8.090830      1.496537
  H      -2.369502     -3.653170     -0.116283
  H      -3.987075     -4.212869      0.309555
  H      -1.349623     -5.509442      1.201784
  H      -2.508838     -6.235027      0.061695
  C      -1.952383     -2.512012      2.184735
  C      -0.785561     -2.460943      1.378725
  C       0.242338     -1.569109      1.626628
  C       0.142313     -0.670702      2.698716
  C      -0.993546     -0.672415      3.487141
  C      -2.071607     -1.563890      3.267792
  C      -3.267071     -1.520372      4.079564
  O      -4.142565     -2.495810      4.003999
  C      -3.665304     -0.477960      5.000761
  F      -4.890450     -0.771587      5.549980
  S      -2.965756      0.929572      5.479874
  C      -7.042076     -5.427206      3.070751
  C      -7.850226     -6.370103      3.749203
  C      -9.158861     -6.077765      4.094681
  C      -9.726786     -4.837207      3.762271
  C      -8.982590     -3.917612      3.044243
  C      -7.647981     -4.185833      2.668795
  C      -6.873587     -3.282572      1.838721
  O      -5.601977     -3.259289      1.895936
  C      -7.471100     -2.407723      0.816470
  F      -8.805803     -2.635689      0.617083
  S      -6.696364     -1.300328     -0.094199
  C      -2.591053     -4.223657      5.725549
  C      -1.287802     -3.937065      6.187508
  C      -1.078719     -3.175494      7.329761
  C      -2.165493     -2.680788      8.060195
  C      -3.454118     -3.001996      7.662580
  C      -3.702122     -3.791732      6.522111
  C      -5.057627     -4.201796      6.175485
  O      -5.404894     -4.492741      4.971695
  C      -6.094511     -4.409006      7.181694
  F      -7.324968     -4.519231      6.596922
  S      -5.968916     -4.631332      8.801357
  H      -0.662272     -3.169366      0.561882
  H       1.131496     -1.584640      0.994080
  H       0.952517      0.026103      2.916817
  H      -1.081690      0.033313      4.309939
  H      -7.411849     -7.315087      4.068033
  H      -9.739634     -6.809408      4.659148
  H     -10.744617     -4.596432      4.069496
  H      -9.423955     -2.959104      2.779546
  H      -0.427904     -4.249742      5.597372
  H      -0.058016     -2.932762      7.630121
  H      -2.005131     -2.041960      8.928700
  H      -4.303586     -2.620340      8.223585
  N      -6.979596     -5.610400     -0.462709
  N      -7.982602     -5.939500     -0.780207
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835983919419
  N      -2.915186     -3.470172      1.944307
  C      -2.943499     -4.173219      0.661498
  C      -2.414846     -5.569605      0.930453
  N      -3.184699     -6.121276      2.082508
  C      -4.208639     -7.094041      1.634643
  C      -5.332108     -7.084609      2.645253
  N      -5.729837     -5.690784      2.766475
  Mo     -4.238941     -4.265729      3.227551
  N      -2.789420     -4.861500      4.504558
  C      -1.683180     -5.640435      3.959184
  C      -2.284933     -6.728257      3.095104
  H      -1.090079     -6.106256      4.760894
  H      -1.002591     -4.996981      3.370799
  H      -2.885126     -7.391960      3.732333
  H      -1.510670     -7.334105      2.595969
  H      -6.169679     -7.696600      2.275330
  H      -5.010061     -7.521367      3.610052
  H      -4.601149     -6.749433      0.669273
  H      -3.760025     -8.092823      1.502843
  H      -2.369596     -3.654055     -0.116508
  H      -3.986184     -4.214158      0.311118
  H      -1.352470     -5.514205      1.201927
  H      -2.514351     -6.235154      0.060576
  C      -1.952669     -2.510185      2.184325
  C      -0.787604     -2.456073      1.375615
  C       0.237719     -1.560663      1.620609
  C       0.136770     -0.661646      2.692054
  C      -0.996861     -0.666849      3.483509
  C      -2.072399     -1.562263      3.267766
  C      -3.266100     -1.521894      4.082107
  O      -4.141117     -2.497967      4.005593
  C      -3.663437     -0.482422      5.006620
  F      -4.893230     -0.772004      5.547555
  S      -2.957494      0.917285      5.499543
  C      -7.043406     -5.425481      3.071280
  C      -7.851563     -6.366229      3.752380
  C      -9.160304     -6.073231      4.096766
  C      -9.727849     -4.833292      3.761227
  C      -8.983126     -3.915591      3.041211
  C      -7.648575     -4.185214      2.665918
  C      -6.872748     -3.282582      1.835730
  O      -5.601151     -3.259659      1.896444
  C      -7.466447     -2.409980      0.809715
  F      -8.800649     -2.637777      0.605621
  S      -6.689606     -1.299519     -0.095483
  C      -2.591385     -4.226512      5.725170
  C      -1.287979     -3.941436      6.187621
  C      -1.078008     -3.181532      7.330653
  C      -2.164268     -2.686951      8.061952
  C      -3.453091     -3.006410      7.663842
  C      -3.702051     -3.794587      6.522323
  C      -5.058279     -4.201594      6.175663
  O      -5.407455     -4.492482      4.972350
  C      -6.095156     -4.407465      7.182552
  F      -7.326314     -4.512390      6.597929
  S      -5.970850     -4.631845      8.801822
  H      -0.664513     -3.165636      0.559795
  H       1.125512     -1.572692      0.986051
  H       0.945034      0.038212      2.907633
  H      -1.085020      0.038828      4.306398
  H      -7.412557     -7.309886      4.074327
  H      -9.741464     -6.803113      4.663098
  H     -10.745650     -4.591828      4.067992
  H      -9.423609     -2.957174      2.775371
  H      -0.428405     -4.254303      5.597067
  H      -0.057063     -2.939823      7.631003
  H      -2.003575     -2.049396      8.931288
  H      -4.302053     -2.624281      8.225417
  N      -6.954752     -5.609973     -0.469375
  N      -7.958646     -5.952599     -0.771020
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835700304508
  N      -2.921943     -3.475670      1.948962
  C      -2.949345     -4.171374      0.666029
  C      -2.411337     -5.567911      0.922721
  N      -3.183407     -6.124218      2.082803
  C      -4.207503     -7.097755      1.637154
  C      -5.331639     -7.086689      2.649540
  N      -5.730589     -5.692165      2.768742
  Mo     -4.238663     -4.267755      3.230357
  N      -2.789861     -4.861174      4.508976
  C      -1.683058     -5.641163      3.961387
  C      -2.282727     -6.729977      3.096026
  H      -1.089302     -6.106290      4.763003
  H      -1.003405     -4.997307      3.372336
  H      -2.882175     -7.394201      3.733456
  H      -1.507885     -7.335111      2.596919
  H      -6.169025     -7.699474      2.280452
  H      -5.009472     -7.521943      3.614994
  H      -4.600688     -6.754743      0.671518
  H      -3.758896     -8.096699      1.506590
  H      -2.383381     -3.636511     -0.107172
  H      -3.983774     -4.227308      0.324151
  H      -1.348372     -5.509773      1.191360
  H      -2.509046     -6.230196      0.050157
  C      -1.959633     -2.513492      2.185191
  C      -0.797574     -2.459102      1.372174
  C       0.228642     -1.563416      1.613183
  C       0.131896     -0.664260      2.684935
  C      -0.998953     -0.669324      3.480277
  C      -2.074964     -1.564742      3.267995
  C      -3.265895     -1.524078      4.084498
  O      -4.139910     -2.499908      4.008073
  C      -3.662102     -0.484837      5.009851
  F      -4.890736     -0.775136      5.552977
  S      -2.956165      0.915292      5.501564
  C      -7.043889     -5.426455      3.073766
  C      -7.852675     -6.365915      3.755857
  C      -9.161777     -6.072180      4.098422
  C      -9.729130     -4.833042      3.759600
  C      -8.983566     -3.916671      3.038696
  C      -7.648448     -4.186758      2.666131
  C      -6.871530     -3.285007      1.835986
  O      -5.599982     -3.261239      1.898173
  C      -7.465011     -2.412769      0.809571
  F      -8.798673     -2.642639      0.604266
  S      -6.688236     -1.302979     -0.096420
  C      -2.591218     -4.225888      5.729171
  C      -1.287450     -3.940790      6.190528
  C      -1.076643     -3.180175      7.332856
  C      -2.162380     -2.684771      8.064315
  C      -3.451538     -3.004195      7.667208
  C      -3.701134     -3.793216      6.526454
  C      -5.056882     -4.200722      6.179922
  O      -5.405030     -4.492942      4.976661
  C      -6.094336     -4.405410      7.186431
  F      -7.325147     -4.511059      6.601343
  S      -5.970495     -4.628349      8.805958
  H      -0.676862     -3.168623      0.555963
  H       1.114025     -1.575686      0.975272
  H       0.940995      0.035582      2.897397
  H      -1.084717      0.036571      4.303336
  H      -7.414291     -7.309211      4.079676
  H      -9.743530     -6.801104      4.665378
  H     -10.747436     -4.591107      4.064307
  H      -9.424028     -2.958992      2.769813
  H      -0.428275     -4.254070      5.599628
  H      -0.055468     -2.938455      7.632412
  H      -2.000884     -2.046491      8.932863
  H      -4.300088     -2.621156      8.228689
  N      -6.932180     -5.630096     -0.460565
  N      -7.941915     -5.882413     -0.841076
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835963746649
  N      -2.917979     -3.472179      1.944287
  C      -2.944255     -4.175236      0.661530
  C      -2.412530     -5.570331      0.929857
  N      -3.183826     -6.121845      2.083330
  C      -4.207463     -7.094929      1.635802
  C      -5.331978     -7.084506      2.645911
  N      -5.730645     -5.690554      2.765314
  Mo     -4.239071     -4.265826      3.228935
  N      -2.789241     -4.861132      4.505606
  C      -1.682646     -5.640231      3.960223
  C      -2.284100     -6.728291      3.096159
  H      -1.090042     -6.105768      4.762472
  H      -1.001624     -4.997134      3.372025
  H      -2.884168     -7.391944      3.733527
  H      -1.509612     -7.334038      2.597245
  H      -6.168953     -7.697284      2.275974
  H      -5.010636     -7.519844      3.611554
  H      -4.599308     -6.751645      0.669753
  H      -3.758691     -8.093835      1.505555
  H      -2.373687     -3.652097     -0.116035
  H      -3.986225     -4.221974      0.313389
  H      -1.350785     -5.513042      1.203552
  H      -2.509209     -6.236803      0.060461
  C      -1.954856     -2.511778      2.182929
  C      -0.790275     -2.458031      1.373316
  C       0.235764     -1.563162      1.617637
  C       0.136582     -0.664294      2.689249
  C      -0.996530     -0.668770      3.481423
  C      -2.072832     -1.563272      3.266076
  C      -3.265916     -1.521831      4.081041
  O      -4.139793     -2.498906      4.006374
  C      -3.663420     -0.480660      5.003226
  F      -4.892002     -0.770317      5.546778
  S      -2.958561      0.921693      5.490266
  C      -7.044048     -5.426030      3.071502
  C      -7.851718     -6.367777      3.751844
  C      -9.160554     -6.075938      4.096851
  C      -9.729075     -4.836148      3.762418
  C      -8.984897     -3.917409      3.043150
  C      -7.650129     -4.185729      2.667872
  C      -6.875076     -3.281501      1.838983
  O      -5.603717     -3.257374      1.899478
  C      -7.470220     -2.407547      0.814676
  F      -8.804504     -2.635538      0.611996
  S      -6.694355     -1.297083     -0.091210
  C      -2.591359     -4.226101      5.726130
  C      -1.287996     -3.940982      6.188780
  C      -1.078228     -3.181437      7.332062
  C      -2.164634     -2.687147      8.063408
  C      -3.453381     -3.006452      7.665063
  C      -3.702208     -3.794414      6.523351
  C      -5.058271     -4.201771      6.176445
  O      -5.406571     -4.493412      4.972842
  C      -6.095633     -4.406687      7.182809
  F      -7.326372     -4.512802      6.597656
  S      -5.972225     -4.627837      8.802603
  H      -0.667333     -3.167496      0.557476
  H       1.122847     -1.575555      0.982090
  H       0.945797      0.034567      2.904458
  H      -1.083777      0.036966      4.304340
  H      -7.412312     -7.311564      4.072831
  H      -9.741154     -6.806809      4.662480
  H     -10.747069     -4.595651      4.069284
  H      -9.426106     -2.959104      2.777894
  H      -0.428301     -4.253850      5.598400
  H      -0.057335     -2.939753      7.632608
  H      -2.004010     -2.049890      8.933000
  H      -4.302339     -2.624245      8.226494
  N      -6.940815     -5.607076     -0.468829
  N      -7.945117     -5.920455     -0.796806
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835984222842
  N      -2.918412     -3.470677      1.944151
  C      -2.948334     -4.173498      0.661697
  C      -2.414917     -5.568606      0.929155
  N      -3.183633     -6.120625      2.082583
  C      -4.207390     -7.093608      1.635205
  C      -5.331698     -7.083295      2.645015
  N      -5.730433     -5.689538      2.764863
  Mo     -4.239456     -4.264360      3.228880
  N      -2.789144     -4.859133      4.505415
  C      -1.682626     -5.637672      3.959594
  C      -2.283333     -6.726061      3.095383
  H      -1.089350     -6.103276      4.761284
  H      -1.002189     -4.993969      3.371285
  H      -2.883162     -7.390131      3.732684
  H      -1.508405     -7.331441      2.596737
  H      -6.168725     -7.695899      2.274766
  H      -5.010232     -7.519333      3.610348
  H      -4.599136     -6.749824      0.669237
  H      -3.759425     -8.092849      1.504642
  H      -2.379402     -3.650970     -0.117679
  H      -3.992509     -4.219379      0.316550
  H      -1.352346     -5.510981      1.199433
  H      -2.513470     -6.234818      0.059736
  C      -1.954500     -2.511503      2.183146
  C      -0.790702     -2.458200      1.372685
  C       0.236515     -1.564673      1.617084
  C       0.138900     -0.666734      2.689701
  C      -0.993831     -0.670669      3.482512
  C      -2.071187     -1.563918      3.267153
  C      -3.264193     -1.521808      4.082556
  O      -4.140361     -2.496741      4.006624
  C      -3.659638     -0.481678      5.007157
  F      -4.888364     -0.770892      5.550692
  S      -2.952839      0.918532      5.497304
  C      -7.043953     -5.425343      3.070346
  C      -7.851838     -6.367053      3.750582
  C      -9.160939     -6.075031      4.094571
  C      -9.729461     -4.835536      3.759151
  C      -8.985065     -3.916879      3.040036
  C      -7.649981     -4.185103      2.666001
  C      -6.874377     -3.280836      1.837855
  O      -5.602927     -3.256165      1.898957
  C      -7.469438     -2.406430      0.813947
  F      -8.802680     -2.637809      0.607958
  S      -6.694438     -1.292634     -0.088571
  C      -2.591613     -4.225210      5.726609
  C      -1.288325     -3.940240      6.189528
  C      -1.078785     -3.181070      7.333149
  C      -2.165317     -2.686827      8.064275
  C      -3.454027     -3.006007      7.665579
  C      -3.702645     -3.793792      6.523747
  C      -5.058647     -4.201289      6.176620
  O      -5.406697     -4.492042      4.972878
  C      -6.096116     -4.407287      7.182667
  F      -7.326753     -4.513376      6.597318
  S      -5.972320     -4.631472      8.802108
  H      -0.669361     -3.166502      0.555497
  H       1.123209     -1.577808      0.981018
  H       0.948775      0.031381      2.904854
  H      -1.079962      0.034619      4.305932
  H      -7.412765     -7.310864      4.071924
  H      -9.741739     -6.805802      4.660132
  H     -10.747701     -4.594988      4.065169
  H      -9.426381     -2.958837      2.773860
  H      -0.428517     -4.252503      5.599036
  H      -0.057940     -2.939605      7.634031
  H      -2.004796     -2.049678      8.933954
  H      -4.303104     -2.623791      8.226811
  N      -6.940510     -5.614700     -0.470692
  N      -7.945650     -5.952088     -0.775254
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.659794364314
  N      -2.889060     -3.360226      1.847128
  C      -3.027207     -4.196296      0.697515
  C      -2.672764     -5.615018      1.205885
  N      -3.240464     -6.061788      2.090087
  C      -4.261185     -7.044776      1.635031
  C      -5.367204     -7.061420      2.635671
  N      -5.760988     -5.676415      2.754608
  Mo     -4.251461     -4.270744      3.182343
  N      -2.796113     -4.878234      4.459366
  C      -1.704752     -5.640940      3.920466
  C      -2.330207     -6.697117      3.069412
  H      -1.102910     -6.117801      4.709043
  H      -1.026460     -4.994562      3.332652
  H      -2.930282     -7.368314      3.698946
  H      -1.565376     -7.300307      2.552774
  H      -6.206819     -7.677350      2.276975
  H      -5.029258     -7.501774      3.593393
  H      -4.663081     -6.695257      0.675355
  H      -3.799983     -8.036090      1.490850
  H      -2.323820     -4.181777     -0.144622
  H      -4.016609     -4.265275      0.442138
  H      -1.603604     -5.585331      1.453817
  H      -2.861548     -6.348186      0.408193
  C      -1.923487     -2.420967      2.112408
  C      -0.747766     -2.341930      1.323116
  C       0.266989     -1.446692      1.608714
  C       0.141325     -0.577076      2.702438
  C      -1.003990     -0.612493      3.477815
  C      -2.069512     -1.509985      3.223907
  C      -3.272635     -1.506966      4.038749
  O      -4.146116     -2.497146      3.962253
  C      -3.678479     -0.487950      4.982115
  F      -4.901458     -0.802398      5.524576
  S      -2.988509      0.913050      5.493646
  C      -7.063411     -5.410142      3.082873
  C      -7.869042     -6.338174      3.782892
  C      -9.170677     -6.029588      4.139866
  C      -9.730979     -4.787817      3.797418
  C      -8.987021     -3.883221      3.059002
  C      -7.658929     -4.166630      2.670799
  C      -6.884899     -3.269761      1.821781
  O      -5.608669     -3.244140      1.863273
  C      -7.491791     -2.399317      0.801529
  F      -8.828158     -2.629348      0.614696
  S      -6.727025     -1.291382     -0.116702
  C      -2.585498     -4.259697      5.684796
  C      -1.277415     -3.982984      6.138897
  C      -1.056297     -3.238165      7.289605
  C      -2.135749     -2.751955      8.036401
  C      -3.428060     -3.066029      7.645259
  C      -3.685158     -3.839273      6.495576
  C      -5.038017     -4.247653      6.149746
  O      -5.391205     -4.521654      4.943868
  C      -6.069831     -4.472275      7.157730
  F      -7.302916     -4.574000      6.576777
  S      -5.937455     -4.720057      8.773014
  H      -0.609228     -3.026429      0.488530
  H       1.164479     -1.434831      0.987944
  H       0.941102      0.122048      2.949704
  H      -1.107671      0.067199      4.320842
  H      -7.434247     -7.282684      4.107975
  H      -9.751730     -6.748385      4.720313
  H     -10.743078     -4.534244      4.113132
  H      -9.423263     -2.924056      2.788503
  H      -0.423670     -4.288882      5.536392
  H      -0.032471     -3.001340      7.583980
  H      -1.966860     -2.125612      8.911994
  H      -4.272391     -2.690894      8.218234
  N      -7.122694     -5.306769     -0.516321
  N      -6.555993     -6.343132     -0.717915
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.764837538553
  N      -2.887588     -3.361251      1.841064
  C      -3.003972     -4.176028      0.662796
  C      -2.611282     -5.585871      1.122638
  N      -3.246711     -6.084752      2.108725
  C      -4.272829     -7.068017      1.658649
  C      -5.378849     -7.073823      2.657049
  N      -5.763955     -5.684218      2.767209
  Mo     -4.250289     -4.277608      3.188638
  N      -2.798920     -4.888155      4.471440
  C      -1.707351     -5.659508      3.938085
  C      -2.338807     -6.722236      3.093631
  H      -1.108280     -6.135018      4.729593
  H      -1.025384     -5.019003      3.347533
  H      -2.941164     -7.387650      3.727265
  H      -1.577495     -7.331735      2.578911
  H      -6.221228     -7.687712      2.301350
  H      -5.044677     -7.509609      3.618360
  H      -4.672494     -6.721467      0.697679
  H      -3.813143     -8.060629      1.519201
  H      -2.304173     -4.129513     -0.182073
  H      -4.006055     -4.253163      0.413075
  H      -1.537845     -5.541509      1.358878
  H      -2.784916     -6.299917      0.299250
  C      -1.928976     -2.419242      2.107609
  C      -0.757162     -2.333389      1.313444
  C       0.254918     -1.435440      1.598318
  C       0.130303     -0.569880      2.695760
  C      -1.011950     -0.611195      3.475365
  C      -2.075335     -1.511431      3.222566
  C      -3.276362     -1.513083      4.038731
  O      -4.146539     -2.504004      3.962078
  C      -3.684997     -0.496474      4.983792
  F      -4.906606     -0.815288      5.526462
  S      -3.000189      0.906610      5.496756
  C      -7.065707     -5.410139      3.094419
  C      -7.874839     -6.330785      3.799836
  C      -9.175331     -6.015565      4.154907
  C      -9.731053     -4.773875      3.804862
  C      -8.983749     -3.876608      3.061161
  C      -7.656480     -4.166834      2.674653
  C      -6.880176     -3.276861      1.820724
  O      -5.604487     -3.252994      1.862872
  C      -7.484120     -2.410073      0.795690
  F      -8.820837     -2.636408      0.609020
  S      -6.715408     -1.308664     -0.126892
  C      -2.588607     -4.265903      5.695562
  C      -1.280281     -3.990342      6.150249
  C      -1.058827     -3.241783      7.298452
  C      -2.138087     -2.750915      8.042580
  C      -3.430514     -3.064452      7.651619
  C      -3.687302     -3.840982      6.504148
  C      -5.038527     -4.250357      6.157081
  O      -5.388588     -4.526396      4.950953
  C      -6.072408     -4.473150      7.163299
  F      -7.304391     -4.575943      6.580005
  S      -5.943798     -4.717387      8.779269
  H      -0.620749     -3.015570      0.476134
  H       1.150152     -1.417703      0.974439
  H       0.928669      0.131173      2.942032
  H      -1.114960      0.065841      4.320582
  H      -7.443342     -7.274902      4.130412
  H      -9.759196     -6.728600      4.739552
  H     -10.742248     -4.514891      4.118986
  H      -9.416590     -2.917602      2.785085
  H      -0.426425     -4.299717      5.549740
  H      -0.034859     -3.005730      7.592821
  H      -1.968856     -2.121659      8.915899
  H      -4.275489     -2.686556      8.222844
  N      -7.106439     -5.297499     -0.531341
  N      -6.566558     -6.305783     -0.762318
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.803744852350
  N      -2.896352     -3.371585      1.852422
  C      -2.987800     -4.165277      0.650020
  C      -2.559106     -5.581643      1.072658
  N      -3.236563     -6.102810      2.113693
  C      -4.263281     -7.085311      1.664693
  C      -5.378922     -7.084372      2.665813
  N      -5.764752     -5.690596      2.774529
  Mo     -4.248602     -4.283887      3.198317
  N      -2.798590     -4.889994      4.483631
  C      -1.698915     -5.667773      3.949450
  C      -2.329832     -6.739139      3.103024
  H      -1.100998     -6.140743      4.743685
  H      -1.014759     -5.030977      3.356822
  H      -2.932009     -7.401726      3.738879
  H      -1.570552     -7.351059      2.586936
  H      -6.220227     -7.698325      2.307616
  H      -5.050070     -7.518128      3.630749
  H      -4.656970     -6.740727      0.701555
  H      -3.803105     -8.078210      1.528220
  H      -2.291673     -4.071119     -0.197103
  H      -4.023659     -4.241213      0.396844
  H      -1.485578     -5.530216      1.305614
  H      -2.709141     -6.275821      0.226431
  C      -1.945587     -2.430204      2.113310
  C      -0.784409     -2.346772      1.304409
  C       0.231035     -1.449616      1.577779
  C       0.118788     -0.583659      2.677490
  C      -1.015180     -0.621974      3.469564
  C      -2.082716     -1.520657      3.228219
  C      -3.278053     -1.521381      4.048528
  O      -4.147201     -2.508490      3.972232
  C      -3.683800     -0.503663      4.995927
  F      -4.903715     -0.821570      5.542656
  S      -2.999168      0.900018      5.505657
  C      -7.066915     -5.409932      3.099474
  C      -7.881094     -6.327208      3.803457
  C      -9.180939     -6.005948      4.156261
  C      -9.731197     -4.762249      3.806049
  C      -8.979448     -3.867968      3.063665
  C      -7.653085     -4.164474      2.679337
  C      -6.873501     -3.279317      1.828464
  O      -5.599042     -3.257531      1.870811
  C      -7.474565     -2.408608      0.803935
  F      -8.810850     -2.630234      0.616418
  S      -6.701726     -1.307721     -0.114910
  C      -2.592289     -4.261580      5.707570
  C      -1.284996     -3.979448      6.162138
  C      -1.067742     -3.225377      7.307913
  C      -2.149555     -2.735906      8.049226
  C      -3.440795     -3.055865      7.658993
  C      -3.693427     -3.837274      6.514303
  C      -5.043205     -4.254174      6.165763
  O      -5.387195     -4.532645      4.958485
  C      -6.077862     -4.478841      7.169452
  F      -7.308829     -4.587934      6.585035
  S      -5.950093     -4.717584      8.786755
  H      -0.663373     -3.031723      0.465639
  H       1.119262     -1.432720      0.943876
  H       0.920336      0.116780      2.914966
  H      -1.108571      0.056465      4.314514
  H      -7.454475     -7.273335      4.134686
  H      -9.768403     -6.716853      4.739909
  H     -10.741705     -4.499037      4.118846
  H      -9.407849     -2.907068      2.787190
  H      -0.429408     -4.287692      5.563639
  H      -0.045084     -2.984050      7.602482
  H      -1.982955     -2.102449      8.920184
  H      -4.287491     -2.679357      8.228048
  N      -7.096988     -5.292306     -0.553704
  N      -6.614187     -6.237044     -0.809976
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.819483515277
  N      -2.909651     -3.388353      1.870091
  C      -2.977727     -4.157861      0.641862
  C      -2.512538     -5.579538      1.021425
  N      -3.232243     -6.121093      2.117715
  C      -4.258987     -7.101542      1.669628
  C      -5.382132     -7.092189      2.671343
  N      -5.766713     -5.694402      2.778005
  Mo     -4.248290     -4.290382      3.208680
  N      -2.797909     -4.891500      4.493747
  C      -1.693338     -5.675852      3.957215
  C      -2.325432     -6.756037      3.111576
  H      -1.095659     -6.144269      4.754327
  H      -1.009466     -5.043599      3.360389
  H      -2.925597     -7.414771      3.752245
  H      -1.569840     -7.370567      2.592917
  H      -6.222568     -7.705205      2.309955
  H      -5.060346     -7.522643      3.640104
  H      -4.647073     -6.759164      0.703873
  H      -3.797630     -8.094025      1.536675
  H      -2.290807     -4.000537     -0.203546
  H      -4.033583     -4.240998      0.387619
  H      -1.440090     -5.523595      1.254261
  H      -2.639497     -6.251461      0.154034
  C      -1.962562     -2.443342      2.122586
  C      -0.810122     -2.357569      1.299018
  C       0.206103     -1.458560      1.561275
  C       0.104220     -0.592968      2.662859
  C      -1.020694     -0.631177      3.467005
  C      -2.090272     -1.530791      3.237267
  C      -3.278836     -1.531355      4.061258
  O      -4.146718     -2.515484      3.984105
  C      -3.680400     -0.511999      5.009516
  F      -4.898815     -0.826981      5.560886
  S      -2.991619      0.891201      5.514503
  C      -7.070474     -5.406474      3.099456
  C      -7.888018     -6.322625      3.800395
  C      -9.187644     -5.999137      4.152315
  C      -9.734451     -4.753289      3.804640
  C      -8.979528     -3.859483      3.065072
  C      -7.653573     -4.159516      2.681440
  C      -6.870971     -3.277180      1.834872
  O      -5.598509     -3.261870      1.881132
  C      -7.464924     -2.399584      0.810856
  F      -8.801139     -2.612821      0.618486
  S      -6.683482     -1.298932     -0.099885
  C      -2.593267     -4.257291      5.716016
  C      -1.286926     -3.970432      6.170153
  C      -1.071816     -3.212783      7.314078
  C      -2.154754     -2.724062      8.054241
  C      -3.445369     -3.047552      7.664405
  C      -3.695842     -3.832271      6.521714
  C      -5.045548     -4.252569      6.174578
  O      -5.389709     -4.535704      4.967943
  C      -6.078151     -4.474185      7.180160
  F      -7.310466     -4.587081      6.598475
  S      -5.947390     -4.705152      8.798413
  H      -0.702647     -3.044196      0.460099
  H       1.087666     -1.438572      0.918143
  H       0.907197      0.108796      2.891466
  H      -1.105218      0.048909      4.311232
  H      -7.463563     -7.270315      4.130316
  H      -9.777599     -6.709806      4.733764
  H     -10.744630     -4.488565      4.117234
  H      -9.404820     -2.896832      2.790547
  H      -0.430357     -4.278748      5.572916
  H      -0.049793     -2.968566      7.608549
  H      -1.989884     -2.088539      8.924308
  H      -4.292807     -2.671711      8.232699
  N      -7.096175     -5.290184     -0.568069
  N      -6.599296     -6.239899     -0.857414
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.827304126765
  N      -2.929189     -3.419869      1.893288
  C      -2.980596     -4.164730      0.646897
  C      -2.476919     -5.585418      0.985938
  N      -3.226445     -6.135999      2.122340
  C      -4.250722     -7.113938      1.672304
  C      -5.382170     -7.096345      2.672718
  N      -5.767017     -5.697582      2.778528
  Mo     -4.247417     -4.296397      3.220313
  N      -2.797492     -4.888943      4.504682
  C      -1.691174     -5.677447      3.967389
  C      -2.319164     -6.763440      3.120630
  H      -1.096620     -6.140819      4.769392
  H      -1.007011     -5.049059      3.368234
  H      -2.919048     -7.418767      3.765646
  H      -1.565131     -7.379070      2.602429
  H      -6.221012     -7.707662      2.304607
  H      -5.068786     -7.525720      3.644195
  H      -4.632082     -6.773917      0.702441
  H      -3.792701     -8.108287      1.544176
  H      -2.316006     -3.914373     -0.192020
  H      -4.038488     -4.250604      0.386826
  H      -1.407690     -5.524162      1.227605
  H      -2.580355     -6.246820      0.110646
  C      -1.979986     -2.465577      2.134234
  C      -0.835852     -2.375052      1.296042
  C       0.181608     -1.473676      1.544706
  C       0.092059     -0.607184      2.646029
  C      -1.023746     -0.644353      3.461425
  C      -2.095187     -1.545228      3.244736
  C      -3.277737     -1.540109      4.072703
  O      -4.147065     -2.519235      3.995853
  C      -3.673505     -0.515318      5.018809
  F      -4.890673     -0.825832      5.574946
  S      -2.979448      0.888232      5.514220
  C      -7.071538     -5.407174      3.094158
  C      -7.892183     -6.327759      3.786022
  C      -9.192208     -6.005150      4.137325
  C      -9.736600     -4.755750      3.799022
  C      -8.979243     -3.857182      3.067777
  C      -7.653118     -4.156777      2.684044
  C      -6.867334     -3.270958      1.846718
  O      -5.595483     -3.262608      1.893956
  C      -7.457508     -2.379142      0.830863
  F      -8.793287     -2.587468      0.633445
  S      -6.670990     -1.270682     -0.065394
  C      -2.593258     -4.250225      5.723983
  C      -1.286965     -3.959890      6.174702
  C      -1.071573     -3.199282      7.316634
  C      -2.154299     -2.710730      8.056824
  C      -3.445411     -3.036122      7.669073
  C      -3.696786     -3.824107      6.529024
  C      -5.048383     -4.245943      6.183699
  O      -5.391903     -4.534224      4.977703
  C      -6.080527     -4.463942      7.189390
  F      -7.313103     -4.579937      6.608195
  S      -5.949646     -4.688048      8.809149
  H      -0.738723     -3.060961      0.456790
  H       1.055481     -1.452440      0.891135
  H       0.896492      0.096380      2.863980
  H      -1.100345      0.039354      4.303525
  H      -7.469732     -7.278486      4.109710
  H      -9.784077     -6.719764      4.712068
  H     -10.746909     -4.491990      4.112160
  H      -9.402569     -2.891640      2.800136
  H      -0.430956     -4.269176      5.576939
  H      -0.049561     -2.953250      7.609804
  H      -1.989122     -2.073782      8.925810
  H      -4.292554     -2.660466      8.238066
  N      -7.082571     -5.292535     -0.601664
  N      -6.601458     -6.222275     -0.928510
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.831561867935
  N      -2.940834     -3.448846      1.913960
  C      -2.987771     -4.179359      0.654909
  C      -2.457802     -5.589164      0.964776
  N      -3.222265     -6.142439      2.124152
  C      -4.243891     -7.119789      1.673426
  C      -5.379631     -7.096293      2.670242
  N      -5.764600     -5.697495      2.774395
  Mo     -4.245316     -4.297970      3.229411
  N      -2.794937     -4.885026      4.509840
  C      -1.689664     -5.675359      3.972697
  C      -2.314117     -6.763232      3.124895
  H      -1.099051     -6.136476      4.778743
  H      -1.003839     -5.048906      3.373484
  H      -2.914486     -7.416088      3.772726
  H      -1.560054     -7.379395      2.608238
  H      -6.216750     -7.707010      2.296878
  H      -5.072050     -7.524821      3.643647
  H      -4.621295     -6.784060      0.700051
  H      -3.789063     -8.116298      1.550933
  H      -2.358208     -3.837384     -0.176320
  H      -4.052893     -4.269860      0.383709
  H      -1.392060     -5.521656      1.219843
  H      -2.545977     -6.250654      0.089454
  C      -1.988659     -2.485582      2.144388
  C      -0.849069     -2.393172      1.299084
  C       0.169476     -1.490432      1.538006
  C       0.088147     -0.621573      2.636923
  C      -1.022704     -0.656623      3.458123
  C      -2.095339     -1.557738      3.249757
  C      -3.275293     -1.544464      4.080795
  O      -4.145505     -2.521294      4.004389
  C      -3.668135     -0.514369      5.022189
  F      -4.887060     -0.818853      5.577816
  S      -2.968898      0.888555      5.511526
  C      -7.070399     -5.408316      3.086480
  C      -7.891905     -6.335592      3.769680
  C      -9.192408     -6.017122      4.122693
  C      -9.737508     -4.765068      3.795717
  C      -8.980291     -3.859613      3.073153
  C      -7.653738     -4.155049      2.687407
  C      -6.867322     -3.262220      1.859466
  O      -5.595903     -3.259310      1.906383
  C      -7.455869     -2.357904      0.852929
  F      -8.791475     -2.562848      0.652373
  S      -6.666939     -1.239527     -0.028735
  C      -2.591236     -4.243594      5.727398
  C      -1.285258     -3.950211      6.176638
  C      -1.070246     -3.188560      7.317831
  C      -2.153470     -2.701332      8.057875
  C      -3.444445     -3.027724      7.670431
  C      -3.696464     -3.817206      6.531413
  C      -5.050292     -4.237166      6.187914
  O      -5.395350     -4.530002      4.982860
  C      -6.082851     -4.448664      7.193776
  F      -7.315176     -4.567236      6.611508
  S      -5.955955     -4.664695      8.815280
  H      -0.755206     -3.080419      0.461301
  H       1.038568     -1.470009      0.878118
  H       0.894057      0.082446      2.847928
  H      -1.095064      0.030064      4.298231
  H      -7.468998     -7.288446      4.085810
  H      -9.784212     -6.737297      4.690548
  H     -10.748099     -4.505043      4.111039
  H      -9.403428     -2.891572      2.814296
  H      -0.429619     -4.259462      5.578442
  H      -0.048537     -2.940966      7.610738
  H      -1.989141     -2.064225      8.926850
  H      -4.291381     -2.652432      8.239995
  N      -7.074142     -5.296228     -0.634711
  N      -6.611413     -6.231151     -0.996973
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.834054229662
  N      -2.950239     -3.473899      1.929164
  C      -2.995935     -4.192959      0.662252
  C      -2.445646     -5.588574      0.950573
  N      -3.216689     -6.142919      2.121051
  C      -4.237098     -7.120303      1.670810
  C      -5.375055     -7.093844      2.665762
  N      -5.762134     -5.695478      2.769671
  Mo     -4.245184     -4.295023      3.235435
  N      -2.793805     -4.877425      4.512345
  C      -1.689863     -5.668153      3.974785
  C      -2.308087     -6.757053      3.123936
  H      -1.102362     -6.128839      4.783385
  H      -1.002357     -5.040745      3.377869
  H      -2.908785     -7.410188      3.771853
  H      -1.550567     -7.371983      2.611193
  H      -6.210917     -7.704420      2.289118
  H      -5.069869     -7.522651      3.639714
  H      -4.612978     -6.788556      0.695072
  H      -3.786328     -8.119372      1.553371
  H      -2.409359     -3.760890     -0.157137
  H      -4.053969     -4.282695      0.380665
  H      -1.383564     -5.512884      1.218791
  H      -2.524296     -6.256187      0.079792
  C      -1.994476     -2.505291      2.150718
  C      -0.856358     -2.419238      1.304470
  C       0.166714     -1.519113      1.536294
  C       0.092945     -0.645361      2.631002
  C      -1.017159     -0.673245      3.453638
  C      -2.093358     -1.570469      3.249696
  C      -3.272433     -1.544949      4.083247
  O      -4.146026     -2.518577      4.009012
  C      -3.659425     -0.509542      5.020299
  F      -4.879817     -0.806039      5.577088
  S      -2.951559      0.890927      5.504699
  C      -7.068737     -5.411029      3.082150
  C      -7.888374     -6.345491      3.759420
  C      -9.188755     -6.032919      4.117449
  C      -9.737242     -4.779410      3.801686
  C      -8.983182     -3.867016      3.084966
  C      -7.656681     -4.156082      2.694222
  C      -6.873225     -3.255336      1.871770
  O      -5.601727     -3.254552      1.914330
  C      -7.464689     -2.342791      0.874410
  F      -8.800200     -2.548012      0.673630
  S      -6.677755     -1.217016      0.000083
  C      -2.591758     -4.235251      5.729609
  C      -1.286751     -3.938580      6.179133
  C      -1.073730     -3.176381      7.320342
  C      -2.158464     -2.691393      8.059581
  C      -3.448514     -3.020156      7.671383
  C      -3.699459     -3.810477      6.532540
  C      -5.054403     -4.228735      6.189294
  O      -5.399623     -4.523433      4.984324
  C      -6.088219     -4.436567      7.194451
  F      -7.319556     -4.557872      6.610533
  S      -5.964404     -4.647756      8.817001
  H      -0.760527     -3.109760      0.469324
  H       1.033796     -1.506216      0.873633
  H       0.902758      0.055462      2.837530
  H      -1.086345      0.016536      4.291556
  H      -7.463505     -7.299904      4.067707
  H      -9.777782     -6.759035      4.680617
  H     -10.747589     -4.523670      4.121244
  H      -9.408604     -2.897641      2.835011
  H      -0.430416     -4.245902      5.580944
  H      -0.052730     -2.926229      7.613529
  H      -1.996013     -2.053578      8.928420
  H      -4.296131     -2.646047      8.240470
  N      -7.057857     -5.289984     -0.677340
  N      -6.608280     -6.218662     -1.065421
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835105283963
  N      -2.951493     -3.487320      1.934636
  C      -2.998830     -4.209178      0.663915
  C      -2.436786     -5.589859      0.952844
  N      -3.208409     -6.140017      2.118646
  C      -4.228027     -7.117045      1.668114
  C      -5.367905     -7.089867      2.658572
  N      -5.758076     -5.692204      2.762594
  Mo     -4.246154     -4.287816      3.240854
  N      -2.793038     -4.869770      4.513977
  C      -1.689773     -5.660035      3.979254
  C      -2.302495     -6.749407      3.125348
  H      -1.105761     -6.122054      4.789814
  H      -0.998995     -5.031137      3.387226
  H      -2.904748     -7.403810      3.770798
  H      -1.539448     -7.363061      2.619177
  H      -6.201932     -7.701150      2.279090
  H      -5.064831     -7.519301      3.632963
  H      -4.601459     -6.788334      0.690146
  H      -3.780248     -8.118184      1.555751
  H      -2.449539     -3.718452     -0.148441
  H      -4.062486     -4.296387      0.361811
  H      -1.378993     -5.506095      1.235366
  H      -2.509267     -6.269872      0.091334
  C      -1.992625     -2.518453      2.150764
  C      -0.853416     -2.443384      1.307300
  C       0.174819     -1.547346      1.535749
  C       0.105165     -0.667996      2.625882
  C      -1.007030     -0.686839      3.446954
  C      -2.087535     -1.578778      3.244756
  C      -3.267417     -1.541074      4.079951
  O      -4.145014     -2.512919      4.011493
  C      -3.649960     -0.499711      5.010195
  F      -4.872509     -0.787127      5.567406
  S      -2.934644      0.899385      5.488775
  C      -7.066230     -5.416068      3.077231
  C      -7.881906     -6.359727      3.747522
  C      -9.182642     -6.056033      4.111247
  C      -9.737219     -4.801990      3.808113
  C      -8.988047     -3.880435      3.098548
  C      -7.661143     -4.160090      2.702445
  C      -6.883514     -3.248370      1.886863
  O      -5.612172     -3.247121      1.922081
  C      -7.481655     -2.325839      0.902858
  F      -8.816815     -2.534020      0.702392
  S      -6.701483     -1.185531      0.041269
  C      -2.593981     -4.227893      5.731880
  C      -1.290208     -3.930063      6.183758
  C      -1.079546     -3.166918      7.324749
  C      -2.166066     -2.682048      8.061523
  C      -3.455016     -3.012212      7.671305
  C      -3.704240     -3.803846      6.532661
  C      -5.059579     -4.220780      6.189102
  O      -5.404517     -4.516508      4.983794
  C      -6.094692     -4.427502      7.193373
  F      -7.324874     -4.550545      6.607600
  S      -5.974419     -4.635428      8.816641
  H      -0.753608     -3.138350      0.475743
  H       1.042116     -1.543659      0.873300
  H       0.919212      0.028293      2.830829
  H      -1.074362      0.006066      4.282523
  H      -7.453315     -7.315220      4.046999
  H      -9.767309     -6.789827      4.668952
  H     -10.747802     -4.552964      4.132117
  H      -9.417642     -2.910300      2.858695
  H      -0.432690     -4.236900      5.586916
  H      -0.059234     -2.915447      7.619135
  H      -2.005797     -2.042877      8.929745
  H      -4.303827     -2.638344      8.238988
  N      -7.046761     -5.253704     -0.724107
  N      -6.650869     -6.200029     -1.130634
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835196484752
  N      -2.950673     -3.493624      1.939208
  C      -2.993883     -4.208584      0.665881
  C      -2.435791     -5.589146      0.943099
  N      -3.207823     -6.137560      2.106774
  C      -4.231178     -7.113482      1.661391
  C      -5.368658     -7.084910      2.656954
  N      -5.761469     -5.687384      2.761644
  Mo     -4.251371     -4.281545      3.239287
  N      -2.796340     -4.865724      4.509524
  C      -1.694240     -5.655832      3.971473
  C      -2.303589     -6.745405      3.115093
  H      -1.108483     -6.119308      4.780115
  H      -1.004478     -5.024083      3.381050
  H      -2.905401     -7.402023      3.758548
  H      -1.536684     -7.357578      2.612727
  H      -6.204126     -7.696487      2.281344
  H      -5.061471     -7.513993      3.630190
  H      -4.607510     -6.787221      0.683686
  H      -3.785907     -8.116121      1.551490
  H      -2.462951     -3.674633     -0.131716
  H      -4.034617     -4.287529      0.362906
  H      -1.377757     -5.508722      1.224976
  H      -2.515903     -6.272461      0.085120
  C      -1.989959     -2.525642      2.155446
  C      -0.846006     -2.461303      1.318896
  C       0.184206     -1.566524      1.546628
  C       0.110699     -0.678823      2.629566
  C      -1.005954     -0.690184      3.445344
  C      -2.087217     -1.581433      3.244014
  C      -3.269219     -1.537372      4.077110
  O      -4.149715     -2.508312      4.009281
  C      -3.650593     -0.495034      5.005138
  F      -4.876962     -0.776404      5.557442
  S      -2.929844      0.899682      5.490199
  C      -7.069110     -5.415373      3.082784
  C      -7.879824     -6.359837      3.757777
  C      -9.179756     -6.059330      4.126871
  C      -9.738988     -4.807231      3.823668
  C      -8.994718     -3.885063      3.109685
  C      -7.668580     -4.161398      2.709174
  C      -6.895844     -3.248429      1.888998
  O      -5.624344     -3.244376      1.921504
  C      -7.498811     -2.332195      0.903207
  F      -8.835773     -2.539041      0.712710
  S      -6.722524     -1.200026      0.026816
  C      -2.596769     -4.225140      5.727928
  C      -1.293069     -3.928528      6.180643
  C      -1.082163     -3.166491      7.322326
  C      -2.168515     -2.682078      8.060012
  C      -3.457302     -3.011891      7.669623
  C      -3.707095     -3.801787      6.529657
  C      -5.063036     -4.216382      6.187229
  O      -5.410604     -4.510679      4.982444
  C      -6.097059     -4.422925      7.193655
  F      -7.327830     -4.545074      6.609919
  S      -5.972644     -4.633578      8.815883
  H      -0.739032     -3.161913      0.492858
  H       1.055042     -1.571458      0.888895
  H       0.925211      0.017117      2.833699
  H      -1.076363      0.008161      4.276084
  H      -7.448066     -7.314017      4.056952
  H      -9.760030     -6.793895      4.688084
  H     -10.748911     -4.559900      4.150978
  H      -9.427938     -2.916526      2.869750
  H      -0.435458     -4.235073      5.583745
  H      -0.061714     -2.915462      7.616569
  H      -2.007951     -2.043402      8.928621
  H      -4.306016     -2.638737      8.237823
  N      -7.014708     -5.248996     -0.760937
  N      -6.579555     -6.191167     -1.136295
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835435375464
  N      -2.946541     -3.490192      1.933250
  C      -2.985945     -4.215127      0.662698
  C      -2.430198     -5.595589      0.955155
  N      -3.202656     -6.140226      2.108907
  C      -4.226484     -7.113705      1.660420
  C      -5.365607     -7.085615      2.652005
  N      -5.759389     -5.688433      2.756223
  Mo     -4.251126     -4.280910      3.238439
  N      -2.795281     -4.864805      4.508900
  C      -1.693375     -5.657172      3.976049
  C      -2.303571     -6.747938      3.121472
  H      -1.109387     -6.120181      4.786217
  H      -1.001228     -5.027811      3.385992
  H      -2.908345     -7.402580      3.764059
  H      -1.535440     -7.362444      2.623551
  H      -6.199838     -7.697641      2.274351
  H      -5.060684     -7.514981      3.625910
  H      -4.599763     -6.785284      0.682135
  H      -3.782332     -8.116867      1.550351
  H      -2.445240     -3.697483     -0.139773
  H      -4.037516     -4.290277      0.342494
  H      -1.373199     -5.513964      1.240251
  H      -2.507275     -6.281864      0.099049
  C      -1.985465     -2.525066      2.151320
  C      -0.839301     -2.464325      1.317370
  C       0.191183     -1.570248      1.546936
  C       0.114910     -0.680791      2.628395
  C      -1.004090     -0.689180      3.441035
  C      -2.086109     -1.579450      3.238316
  C      -3.269396     -1.534203      4.069460
  O      -4.149164     -2.506612      4.008329
  C      -3.652910     -0.487386      4.991628
  F      -4.875255     -0.771530      5.551349
  S      -2.939739      0.916519      5.461177
  C      -7.067731     -5.419584      3.078322
  C      -7.876790     -6.367555      3.750199
  C      -9.177188     -6.070284      4.120544
  C      -9.738776     -4.818175      3.822104
  C      -8.995968     -3.892023      3.111888
  C      -7.669510     -4.165024      2.709852
  C      -6.898446     -3.245677      1.896545
  O      -5.627342     -3.242266      1.924731
  C      -7.504020     -2.316477      0.923378
  F      -8.837217     -2.534278      0.718617
  S      -6.734176     -1.157138      0.078435
  C      -2.597793     -4.223651      5.727693
  C      -1.294626     -3.927696      6.182383
  C      -1.085002     -3.164715      7.323739
  C      -2.172193     -2.678392      8.058839
  C      -3.460625     -3.007504      7.666415
  C      -3.708991     -3.799221      6.527434
  C      -5.064123     -4.216755      6.185021
  O      -5.409933     -4.513474      4.980200
  C      -6.098302     -4.425425      7.190569
  F      -7.328372     -4.550546      6.605817
  S      -5.975111     -4.635240      8.813182
  H      -0.731887     -3.166045      0.492362
  H       1.063931     -1.577195      0.891743
  H       0.929558      0.014563      2.834084
  H      -1.075582      0.011171      4.269935
  H      -7.443927     -7.322174      4.046291
  H      -9.755926     -6.807889      4.679375
  H     -10.749031     -4.573683      4.150506
  H      -9.430606     -2.923009      2.876555
  H      -0.436187     -4.235410      5.587323
  H      -0.064792     -2.914619      7.619635
  H      -2.012588     -2.039398      8.927396
  H      -4.310143     -2.633730      8.233102
  N      -7.011581     -5.197466     -0.774171
  N      -6.653957     -6.187485     -1.104295
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835516767245
  N      -2.943580     -3.488085      1.933317
  C      -2.982031     -4.211839      0.662753
  C      -2.430734     -5.595920      0.952516
  N      -3.202943     -6.141069      2.107058
  C      -4.227604     -7.114279      1.659740
  C      -5.365914     -7.085680      2.652498
  N      -5.759888     -5.688419      2.755433
  Mo     -4.251198     -4.281674      3.236723
  N      -2.794206     -4.866607      4.505984
  C      -1.692200     -5.657805      3.972107
  C      -2.303551     -6.749093      3.119165
  H      -1.106070     -6.119831      4.781232
  H      -1.002315     -5.027846      3.380137
  H      -2.907705     -7.403322      3.762641
  H      -1.536092     -7.364003      2.620663
  H      -6.200378     -7.698124      2.276028
  H      -5.060116     -7.514121      3.626485
  H      -4.601948     -6.785739      0.681981
  H      -3.783137     -8.117250      1.549105
  H      -2.435342     -3.699909     -0.139072
  H      -4.033469     -4.283681      0.342181
  H      -1.372302     -5.518273      1.233279
  H      -2.512126     -6.278822      0.094101
  C      -1.982246     -2.523597      2.153392
  C      -0.832639     -2.463907      1.323332
  C       0.196307     -1.568854      1.555151
  C       0.115222     -0.677433      2.634582
  C      -1.006072     -0.685226      3.443690
  C      -2.086769     -1.576934      3.239295
  C      -3.271503     -1.533197      4.067584
  O      -4.148830     -2.507904      4.007835
  C      -3.659138     -0.485037      4.986752
  F      -4.879748     -0.772727      5.548430
  S      -2.952763      0.924413      5.449887
  C      -7.068733     -5.419448      3.076157
  C      -7.877868     -6.366843      3.748461
  C      -9.179510     -6.070293      4.115221
  C      -9.742042     -4.819640      3.812620
  C      -8.998591     -3.893863      3.102543
  C      -7.670756     -4.166146      2.704513
  C      -6.898451     -3.246131      1.893565
  O      -5.627543     -3.242421      1.924434
  C      -7.502779     -2.313527      0.922669
  F      -8.834162     -2.535827      0.710588
  S      -6.733586     -1.146269      0.088568
  C      -2.595962     -4.225512      5.724560
  C      -1.292503     -3.930282      6.179045
  C      -1.082178     -3.167451      7.320367
  C      -2.168893     -2.680414      8.055718
  C      -3.457598     -3.008682      7.663455
  C      -3.706671     -3.800382      6.524607
  C      -5.062141     -4.218017      6.183527
  O      -5.409583     -4.515770      4.979364
  C      -6.095383     -4.425803      7.190305
  F      -7.326275     -4.549585      6.606741
  S      -5.971063     -4.635706      8.812781
  H      -0.722825     -3.167752      0.500668
  H       1.071741     -1.576169      0.903553
  H       0.928567      0.018994      2.841899
  H      -1.080141      0.016670      4.271008
  H      -7.444487     -7.320356      4.047343
  H      -9.758714     -6.807348      4.674295
  H     -10.753564     -4.576077      4.137797
  H      -9.433850     -2.925859      2.864011
  H      -0.434332     -4.238658      5.583925
  H      -0.061725     -2.918236      7.616178
  H      -2.008854     -2.041914      8.924575
  H      -4.306875     -2.634758      8.230569
  N      -7.015796     -5.185193     -0.767981
  N      -6.684554     -6.210368     -1.004467
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835607634734
  N      -2.941044     -3.487323      1.931749
  C      -2.978995     -4.210599      0.662125
  C      -2.429660     -5.597194      0.950403
  N      -3.200079     -6.143454      2.105763
  C      -4.225014     -7.117074      1.660526
  C      -5.363199     -7.087299      2.653854
  N      -5.758995     -5.689990      2.752918
  Mo     -4.250501     -4.282752      3.235136
  N      -2.793456     -4.867732      4.505000
  C      -1.690544     -5.657827      3.970731
  C      -2.300887     -6.750173      3.118738
  H      -1.102426     -6.118157      4.779291
  H      -1.003159     -5.026827      3.377002
  H      -2.904442     -7.404360      3.762699
  H      -1.532769     -7.364998      2.620999
  H      -6.196825     -7.701673      2.278705
  H      -5.056992     -7.512969      3.628866
  H      -4.600193     -6.789708      0.682833
  H      -3.780107     -8.119950      1.550562
  H      -2.428557     -3.701842     -0.139040
  H      -4.028865     -4.278176      0.340183
  H      -1.370021     -5.520908      1.226886
  H      -2.513963     -6.277191      0.089904
  C      -1.978669     -2.524336      2.153001
  C      -0.826537     -2.466093      1.325721
  C       0.201632     -1.570768      1.559408
  C       0.117392     -0.677839      2.637372
  C      -1.005669     -0.684329      3.443724
  C      -2.085771     -1.576523      3.237837
  C      -3.271600     -1.532899      4.063298
  O      -4.146881     -2.509490      4.006272
  C      -3.662682     -0.481796      4.978011
  F      -4.880443     -0.772395      5.544175
  S      -2.963281      0.934627      5.430325
  C      -7.068445     -5.422045      3.072282
  C      -7.877302     -6.369649      3.744456
  C      -9.180231     -6.074741      4.108025
  C      -9.744423     -4.825596      3.802377
  C      -9.000767     -3.899208      3.093367
  C      -7.671402     -4.169678      2.698636
  C      -6.898339     -3.246358      1.892270
  O      -5.627611     -3.243034      1.923871
  C      -7.502078     -2.304328      0.929273
  F      -8.829524     -2.535659      0.701968
  S      -6.736192     -1.117099      0.121809
  C      -2.595683     -4.226482      5.723435
  C      -1.292437     -3.931477      6.178893
  C      -1.082676     -3.168157      7.319986
  C      -2.169746     -2.680343      8.054306
  C      -3.458220     -3.008531      7.661197
  C      -3.706533     -3.800669      6.522519
  C      -5.061431     -4.219023      6.181194
  O      -5.408602     -4.518259      4.977049
  C      -6.095070     -4.425910      7.187599
  F      -7.325784     -4.550168      6.603388
  S      -5.972074     -4.633763      8.810421
  H      -0.715423     -3.171501      0.504676
  H       1.079193     -1.578749      0.910681
  H       0.930173      0.018911      2.845893
  H      -1.081208      0.019067      4.269638
  H      -7.443262     -7.322116      4.045591
  H      -9.759368     -6.811933      4.666997
  H     -10.757243     -4.583698      4.124727
  H      -9.437098     -2.932121      2.853170
  H      -0.433804     -4.240365      5.584720
  H      -0.062307     -2.919331      7.616411
  H      -2.010317     -2.041698      8.923151
  H      -4.308036     -2.634692      8.227720
  N      -7.031939     -5.157525     -0.767681
  N      -6.732300     -6.210882     -0.899823
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835700478485
  N      -2.938905     -3.488303      1.930692
  C      -2.976287     -4.211448      0.661703
  C      -2.429015     -5.599726      0.947560
  N      -3.196328     -6.146235      2.104105
  C      -4.221420     -7.120870      1.662371
  C      -5.359074     -7.089301      2.656657
  N      -5.757358     -5.692046      2.750826
  Mo     -4.249533     -4.283389      3.234390
  N      -2.792570     -4.868190      4.505163
  C      -1.688339     -5.656259      3.969422
  C      -2.296507     -6.750045      3.117977
  H      -1.097532     -6.114564      4.777072
  H      -1.004389     -5.023241      3.373844
  H      -2.898829     -7.404793      3.762439
  H      -1.527035     -7.364031      2.621162
  H      -6.191586     -7.706329      2.283438
  H      -5.052110     -7.511116      3.633029
  H      -4.598112     -6.795808      0.684553
  H      -3.776261     -8.123839      1.553948
  H      -2.422830     -3.702932     -0.137690
  H      -4.024448     -4.273467      0.337339
  H      -1.368117     -5.524994      1.219638
  H      -2.516833     -6.276900      0.085159
  C      -1.975435     -2.526736      2.152705
  C      -0.821302     -2.470541      1.327803
  C       0.206555     -1.575238      1.562551
  C       0.120096     -0.680477      2.638846
  C      -1.004450     -0.685049      3.442987
  C      -2.084441     -1.577226      3.236184
  C      -3.271213     -1.532909      4.059477
  O      -4.144605     -2.511256      4.005001
  C      -3.665435     -0.479037      4.969886
  F      -4.880974     -0.771870      5.539444
  S      -2.972311      0.943526      5.412559
  C      -7.067499     -5.425665      3.068543
  C      -7.876147     -6.373773      3.740166
  C      -9.180826     -6.081286      4.099448
  C      -9.747325     -4.834160      3.789796
  C      -9.003278     -3.906744      3.082646
  C      -7.671648     -4.174271      2.693030
  C      -6.898079     -3.246465      1.892506
  O      -5.627433     -3.243595      1.924217
  C      -7.501907     -2.292717      0.940394
  F      -8.824469     -2.534838      0.695454
  S      -6.741335     -1.081149      0.166001
  C      -2.595379     -4.227013      5.723507
  C      -1.292419     -3.932435      6.180296
  C      -1.083445     -3.168151      7.320846
  C      -2.170990     -2.678451      8.053283
  C      -3.459199     -3.006440      7.659197
  C      -3.706592     -3.800075      6.521351
  C      -5.060948     -4.218610      6.179192
  O      -5.407329     -4.519640      4.974951
  C      -6.095556     -4.424381      7.184732
  F      -7.325573     -4.550610      6.599133
  S      -5.974607     -4.630242      8.807909
  H      -0.709378     -3.177737      0.508401
  H       1.085921     -1.584450      0.916285
  H       0.932691      0.016343      2.847919
  H      -1.080820      0.019966      4.267414
  H      -7.441309     -7.325024      4.043873
  H      -9.759946     -6.818968      4.657798
  H     -10.762043     -4.594682      4.107943
  H      -9.441277     -2.941020      2.839822
  H      -0.433147     -4.242212      5.587518
  H      -0.063184     -2.919654      7.617926
  H      -2.012256     -2.038371      8.921191
  H      -4.309320     -2.630096      8.223138
  N      -7.054174     -5.128251     -0.775171
  N      -6.783548     -6.197321     -0.803728
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835784600764
  N      -2.936885     -3.490929      1.930026
  C      -2.973337     -4.213749      0.660656
  C      -2.428977     -5.603081      0.943291
  N      -3.192833     -6.149063      2.101236
  C      -4.218074     -7.125105      1.663877
  C      -5.354646     -7.091416      2.659421
  N      -5.755357     -5.694355      2.748521
  Mo     -4.248599     -4.283662      3.233370
  N      -2.791584     -4.868069      4.504962
  C      -1.685978     -5.653145      3.966688
  C      -2.291556     -6.748788      3.115857
  H      -1.091939     -6.109406      4.773024
  H      -1.006128     -5.017375      3.369272
  H      -2.892191     -7.404434      3.761018
  H      -1.520406     -7.361475      2.619985
  H      -6.186137     -7.711232      2.288616
  H      -5.046500     -7.508916      3.637213
  H      -4.596888     -6.802918      0.685907
  H      -3.773045     -8.128388      1.557480
  H      -2.416719     -3.703452     -0.135706
  H      -4.020457     -4.269860      0.332591
  H      -1.366814     -5.531108      1.211437
  H      -2.521044     -6.277559      0.079269
  C      -1.972931     -2.529885      2.152897
  C      -0.816787     -2.475775      1.330805
  C       0.210583     -1.580081      1.566079
  C       0.121582     -0.682807      2.640080
  C      -1.004706     -0.685546      3.441836
  C      -2.084112     -1.578201      3.234447
  C      -3.271956     -1.532885      4.055889
  O      -4.143227     -2.513227      4.003191
  C      -3.668712     -0.476900      4.962553
  F      -4.882188     -0.771783      5.535325
  S      -2.978829      0.949067      5.399317
  C      -7.066037     -5.429551      3.064885
  C      -7.874180     -6.378080      3.736533
  C      -9.180142     -6.087789      4.092871
  C      -9.748724     -4.842295      3.780373
  C      -9.004633     -3.913853      3.074741
  C      -7.671362     -4.178847      2.688368
  C      -6.897642     -3.246631      1.893293
  O      -5.626917     -3.244592      1.924386
  C      -7.501268     -2.281888      0.951570
  F      -8.817200     -2.537380      0.684097
  S      -6.745962     -1.046980      0.210791
  C      -2.595129     -4.227500      5.723437
  C      -1.292581     -3.933919      6.182311
  C      -1.084766     -3.169497      7.322926
  C      -2.172962     -2.678136      8.053386
  C      -3.460857     -3.005177      7.657589
  C      -3.707125     -3.799393      6.519875
  C      -5.061106     -4.217379      6.176441
  O      -5.406507     -4.520060      4.972106
  C      -6.096977     -4.420887      7.181098
  F      -7.326931     -4.545134      6.594709
  S      -5.978597     -4.618198      8.805445
  H      -0.703478     -3.185163      0.513423
  H       1.091751     -1.590715      0.922290
  H       0.933707      0.014515      2.849322
  H      -1.082571      0.021325      4.264551
  H      -7.438408     -7.328207      4.042336
  H      -9.758844     -6.825898      4.651104
  H     -10.764818     -4.604855      4.095635
  H      -9.444056     -2.949127      2.830667
  H      -0.432452     -4.244474      5.591213
  H      -0.064682     -2.921901      7.621380
  H      -2.015021     -2.037266      8.920850
  H      -4.311279     -2.625949      8.218710
  N      -7.075640     -5.103818     -0.789614
  N      -6.829939     -6.176619     -0.714364
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835837534198
  N      -2.934011     -3.494928      1.930494
  C      -2.969034     -4.216701      0.659729
  C      -2.429007     -5.607164      0.939104
  N      -3.190385     -6.151941      2.098585
  C      -4.215833     -7.129358      1.665595
  C      -5.351180     -7.093291      2.662336
  N      -5.753352     -5.696363      2.747140
  Mo     -4.247369     -4.283764      3.232186
  N      -2.790275     -4.867609      4.504510
  C      -1.683768     -5.649667      3.963459
  C      -2.287401     -6.747431      3.113876
  H      -1.086504     -6.104128      4.768364
  H      -1.007907     -5.011349      3.364174
  H      -2.886433     -7.403596      3.760112
  H      -1.514864     -7.359150      2.618978
  H      -6.182137     -7.715202      2.293919
  H      -5.041853     -7.506978      3.641351
  H      -4.596683     -6.809991      0.687450
  H      -3.771349     -8.133152      1.561424
  H      -2.408325     -3.704277     -0.132647
  H      -4.015874     -4.267393      0.327076
  H      -1.365693     -5.539809      1.204278
  H      -2.525940     -6.279309      0.073906
  C      -1.970283     -2.533400      2.154416
  C      -0.811897     -2.481727      1.335749
  C       0.214809     -1.585228      1.570854
  C       0.122727     -0.684490      2.641641
  C      -1.005698     -0.685236      3.440603
  C      -2.084154     -1.578869      3.233151
  C      -3.273472     -1.532476      4.052874
  O      -4.142389     -2.515044      4.000847
  C      -3.673494     -0.475114      4.955950
  F      -4.889164     -0.769085      5.524546
  S      -2.988694      0.955278      5.386181
  C      -7.064432     -5.432174      3.062047
  C      -7.872880     -6.380465      3.733794
  C      -9.180026     -6.091432      4.086799
  C      -9.749895     -4.847369      3.770692
  C      -9.004975     -3.918644      3.066453
  C      -7.670074     -4.181952      2.684405
  C      -6.896044     -3.247070      1.893490
  O      -5.625109     -3.246090      1.923986
  C      -7.499889     -2.273463      0.960973
  F      -8.815406     -2.528953      0.689873
  S      -6.753215     -1.012333      0.257244
  C      -2.594375     -4.227459      5.722922
  C      -1.292160     -3.935107      6.183769
  C      -1.085304     -3.169879      7.323939
  C      -2.173996     -2.675710      8.051810
  C      -3.461720     -3.001452      7.654481
  C      -3.707317     -3.797549      6.517847
  C      -5.061368     -4.214833      6.173502
  O      -5.405834     -4.519366      4.969275
  C      -6.098581     -4.416997      7.177175
  F      -7.325291     -4.556773      6.587512
  S      -5.981195     -4.622617      8.800472
  H      -0.696490     -3.194030      0.521099
  H       1.097872     -1.597757      0.929704
  H       0.934089      0.013763      2.850707
  H      -1.085831      0.023899      4.261146
  H      -7.436730     -7.329677      4.041849
  H      -9.758965     -6.829506      4.644836
  H     -10.767407     -4.611304      4.082382
  H      -9.445284     -2.954879      2.819880
  H      -0.431302     -4.246991      5.594471
  H      -0.065346     -2.923332      7.623720
  H      -2.016546     -2.033420      8.918321
  H      -4.312167     -2.618365      8.212633
  N      -7.092830     -5.092230     -0.808415
  N      -6.867800     -6.157371     -0.627840
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835894331063
  N      -2.931145     -3.496195      1.932010
  C      -2.964380     -4.215175      0.659356
  C      -2.429045     -5.607963      0.935874
  N      -3.190181     -6.152915      2.096039
  C      -4.215911     -7.130728      1.664775
  C      -5.350623     -7.093926      2.662242
  N      -5.752883     -5.696989      2.746346
  Mo     -4.246515     -4.284325      3.230770
  N      -2.788338     -4.868110      4.502232
  C      -1.681935     -5.648050      3.958938
  C      -2.285892     -6.746983      3.110940
  H      -1.082203     -6.101890      4.762354
  H      -1.008719     -5.008341      3.358192
  H      -2.883918     -7.403161      3.758151
  H      -1.513261     -7.358509      2.615974
  H      -6.181762     -7.716118      2.294760
  H      -5.040554     -7.506704      3.641421
  H      -4.597833     -6.812005      0.686851
  H      -3.771746     -8.134723      1.561063
  H      -2.398460     -3.703226     -0.129569
  H      -4.011917     -4.262488      0.322627
  H      -1.364907     -5.545956      1.199204
  H      -2.530185     -6.277800      0.069445
  C      -1.968349     -2.533564      2.157763
  C      -0.807457     -2.483254      1.342767
  C       0.218192     -1.585733      1.578502
  C       0.122389     -0.682448      2.646734
  C      -1.008304     -0.682401      3.442601
  C      -2.085486     -1.577309      3.234271
  C      -3.276446     -1.531581      4.052111
  O      -4.142516     -2.516724      3.999858
  C      -3.680721     -0.474172      4.952740
  F      -4.894930     -0.772518      5.522330
  S      -3.000630      0.958945      5.381302
  C      -7.064087     -5.432538      3.060624
  C      -7.873094     -6.380900      3.731687
  C      -9.180727     -6.092197      4.083127
  C      -9.750648     -4.848351      3.766122
  C      -9.004958     -3.919388      3.063096
  C      -7.669458     -4.182378      2.682978
  C      -6.894905     -3.247094      1.893887
  O      -5.623811     -3.247418      1.924079
  C      -7.498108     -2.270269      0.964566
  F      -8.806751     -2.539420      0.673252
  S      -6.748525     -1.011624      0.259530
  C      -2.592207     -4.228534      5.720656
  C      -1.290015     -3.937050      6.182241
  C      -1.083271     -3.171966      7.322509
  C      -2.171959     -2.676848      8.049704
  C      -3.459754     -3.001554      7.651731
  C      -3.705531     -3.797989      6.515326
  C      -5.059967     -4.215258      6.171632
  O      -5.404888     -4.520582      4.967793
  C      -6.097026     -4.417003      7.175742
  F      -7.324904     -4.550043      6.587013
  S      -5.980447     -4.617418      8.799767
  H      -0.689373     -3.197879      0.530525
  H       1.103205     -1.599391      0.940077
  H       0.932668      0.016839      2.856520
  H      -1.091267      0.028169      4.261567
  H      -7.436938     -7.329949      4.040221
  H      -9.760095     -6.830377      4.640572
  H     -10.768736     -4.612706      4.076231
  H      -9.445227     -2.955724      2.815858
  H      -0.429012     -4.249358      5.593402
  H      -0.063297     -2.926296      7.622973
  H      -2.014430     -2.034903      8.916480
  H      -4.310123     -2.618112      8.210044
  N      -7.108372     -5.094767     -0.824724
  N      -6.908101     -6.143510     -0.538616
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835868032145
  N      -2.930377     -3.502071      1.931850
  C      -2.963864     -4.219284      0.655703
  C      -2.429004     -5.610141      0.931664
  N      -3.188447     -6.154180      2.093016
  C      -4.212542     -7.133648      1.663572
  C      -5.347097     -7.096081      2.660262
  N      -5.749492     -5.699675      2.743899
  Mo     -4.244648     -4.283287      3.229188
  N      -2.787384     -4.865792      4.502258
  C      -1.680837     -5.643943      3.956868
  C      -2.282763     -6.744276      3.109015
  H      -1.080025     -6.097984      4.759444
  H      -1.009022     -5.002557      3.356321
  H      -2.880069     -7.400753      3.756772
  H      -1.508573     -7.354996      2.615521
  H      -6.177775     -7.718903      2.292992
  H      -5.037032     -7.507568      3.640053
  H      -4.594375     -6.816906      0.684903
  H      -3.769166     -8.138242      1.562210
  H      -2.399283     -3.701209     -0.130120
  H      -4.010147     -4.267405      0.316174
  H      -1.364894     -5.550874      1.196024
  H      -2.532306     -6.281296      0.066603
  C      -1.969260     -2.536570      2.157611
  C      -0.808107     -2.486894      1.344045
  C       0.217264     -1.588304      1.578006
  C       0.120598     -0.682717      2.644149
  C      -1.011015     -0.682480      3.439272
  C      -2.087035     -1.578607      3.232117
  C      -3.278556     -1.531281      4.050984
  O      -4.143630     -2.517401      3.997113
  C      -3.682425     -0.475089      4.952007
  F      -4.894467     -0.776180      5.525089
  S      -2.995457      0.951863      5.389915
  C      -7.060162     -5.435221      3.059201
  C      -7.870081     -6.385015      3.727737
  C      -9.177018     -6.096297      4.081189
  C      -9.746146     -4.850768      3.768879
  C      -9.000103     -3.920278      3.068515
  C      -7.665107     -4.183003      2.686366
  C      -6.892081     -3.246703      1.897428
  O      -5.620374     -3.249298      1.921972
  C      -7.497337     -2.267142      0.972718
  F      -8.805661     -2.537953      0.680093
  S      -6.750370     -1.003178      0.273962
  C      -2.592732     -4.227944      5.721475
  C      -1.291270     -3.938316      6.186254
  C      -1.086278     -3.174506      7.327675
  C      -2.176010     -2.679153      8.053036
  C      -3.463306     -3.002356      7.652247
  C      -3.707621     -3.797191      6.514444
  C      -5.061702     -4.213446      6.168541
  O      -5.404135     -4.518085      4.963909
  C      -6.100747     -4.413647      7.170894
  F      -7.331326     -4.521847      6.583071
  S      -5.989887     -4.589452      8.798265
  H      -0.687681     -3.202832      0.533113
  H       1.102346     -1.603229      0.939734
  H       0.930236      0.017603      2.852783
  H      -1.096206      0.029021      4.257325
  H      -7.434614     -7.335471      4.032814
  H      -9.756435     -6.835860      4.636737
  H     -10.763760     -4.615086      4.080476
  H      -9.439802     -2.955412      2.824903
  H      -0.429225     -4.250563      5.598948
  H      -0.066746     -2.930104      7.630664
  H      -2.019436     -2.038285      8.920757
  H      -4.314258     -2.619230      8.210116
  N      -7.129432     -5.097405     -0.846323
  N      -6.915033     -6.124444     -0.515250
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835957167596
  N      -2.927473     -3.499154      1.931760
  C      -2.958661     -4.215273      0.656943
  C      -2.425932     -5.609223      0.933741
  N      -3.188520     -6.154194      2.094117
  C      -4.213068     -7.132824      1.662615
  C      -5.348917     -7.095895      2.658766
  N      -5.750728     -5.699077      2.743403
  Mo     -4.244230     -4.285157      3.227370
  N      -2.786356     -4.867224      4.500128
  C      -1.680286     -5.646977      3.956874
  C      -2.284371     -6.746913      3.110130
  H      -1.080147     -6.100962      4.759998
  H      -1.007346     -5.007394      3.355762
  H      -2.882760     -7.402093      3.758018
  H      -1.511502     -7.359202      2.616439
  H      -6.179898     -7.717714      2.290468
  H      -5.039663     -7.508851      3.638179
  H      -4.593892     -6.814862      0.684036
  H      -3.768876     -8.136948      1.560324
  H      -2.389506     -3.703031     -0.129100
  H      -4.004973     -4.262839      0.316411
  H      -1.361800     -5.551074      1.197791
  H      -2.529085     -6.279249      0.067704
  C      -1.966419     -2.534099      2.159072
  C      -0.802727     -2.484718      1.348292
  C       0.221329     -1.585327      1.584532
  C       0.120916     -0.678863      2.649616
  C      -1.012381     -0.678673      3.441889
  C      -2.087235     -1.576004      3.232917
  C      -3.279907     -1.530354      4.048776
  O      -4.143360     -2.517820      3.995924
  C      -3.686595     -0.472946      4.947574
  F      -4.898157     -0.775021      5.521155
  S      -3.005788      0.959287      5.377773
  C      -7.061489     -5.433767      3.057979
  C      -7.871656     -6.382693      3.727183
  C      -9.178413     -6.092815      4.080453
  C      -9.746599     -4.847039      3.767590
  C      -9.000269     -3.917643      3.065980
  C      -7.665789     -4.182139      2.683090
  C      -6.891455     -3.248200      1.892647
  O      -5.620019     -3.251006      1.919613
  C      -7.494543     -2.272405      0.962309
  F      -8.807159     -2.533803      0.680947
  S      -6.747511     -1.008483      0.263495
  C      -2.591514     -4.228209      5.718835
  C      -1.289942     -3.937495      6.182571
  C      -1.084628     -3.173381      7.323797
  C      -2.174235     -2.679472      8.050354
  C      -3.461502     -3.004017      7.650495
  C      -3.705961     -3.798247      6.512373
  C      -5.059906     -4.216004      6.167816
  O      -5.403518     -4.521331      4.963698
  C      -6.097702     -4.416737      7.171292
  F      -7.326944     -4.538875      6.583218
  S      -5.983712     -4.604365      8.797105
  H      -0.680255     -3.201524      0.538632
  H       1.108274     -1.600093      0.948851
  H       0.929450      0.022257      2.859935
  H      -1.099852      0.033764      4.258895
  H      -7.436505     -7.333032      4.033110
  H      -9.758286     -6.831500      4.636699
  H     -10.763815     -4.610329      4.079720
  H      -9.439031     -2.952501      2.822151
  H      -0.428192     -4.249430      5.594623
  H      -0.065075     -2.928235      7.626099
  H      -2.017705     -2.039214      8.918551
  H      -4.312713     -2.623807      8.210278
  N      -7.140423     -5.109413     -0.850724
  N      -6.953804     -6.124983     -0.459889
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835887385658
  N      -2.927399     -3.496045      1.932310
  C      -2.958089     -4.212503      0.657823
  C      -2.424663     -5.606350      0.937444
  N      -3.190586     -6.151173      2.095750
  C      -4.215108     -7.128176      1.660044
  C      -5.351973     -7.093214      2.654907
  N      -5.751736     -5.696342      2.743847
  Mo     -4.244346     -4.283710      3.227715
  N      -2.787478     -4.866832      4.500899
  C      -1.682644     -5.649908      3.960111
  C      -2.288932     -6.747637      3.112070
  H      -1.085542     -6.106025      4.764357
  H      -1.005864     -5.012857      3.360644
  H      -2.889688     -7.401564      3.758941
  H      -1.517468     -7.361640      2.618281
  H      -6.183587     -7.712673      2.284143
  H      -5.043983     -7.509860      3.633174
  H      -4.593985     -6.807566      0.681509
  H      -3.770966     -8.132111      1.555977
  H      -2.389327     -3.702454     -0.129756
  H      -4.003454     -4.263154      0.317902
  H      -1.361451     -5.546792      1.204431
  H      -2.524984     -6.278007      0.072261
  C      -1.966101     -2.531504      2.160154
  C      -0.802617     -2.481702      1.348850
  C       0.221632     -1.582655      1.585643
  C       0.121651     -0.677117      2.651585
  C      -1.011278     -0.677407      3.444209
  C      -2.086465     -1.574449      3.235022
  C      -3.278892     -1.529225      4.051238
  O      -4.143739     -2.515392      3.997350
  C      -3.684814     -0.472492      4.951471
  F      -4.904806     -0.766259      5.511337
  S      -3.009056      0.964276      5.374569
  C      -7.061623     -5.429666      3.060545
  C      -7.871972     -6.378455      3.729704
  C      -9.176879     -6.086201      4.087638
  C      -9.742770     -4.838144      3.779851
  C      -8.996934     -3.909287      3.076913
  C      -7.664717     -4.176552      2.688072
  C      -6.890772     -3.245699      1.892774
  O      -5.619325     -3.249222      1.918371
  C      -7.493482     -2.277215      0.954825
  F      -8.804306     -2.543281      0.670244
  S      -6.735668     -1.042386      0.215993
  C      -2.592461     -4.227658      5.719637
  C      -1.290611     -3.936496      6.182078
  C      -1.084492     -3.171526      7.322594
  C      -2.173719     -2.677383      8.049570
  C      -3.461169     -3.002925      7.651092
  C      -3.706313     -3.798200      6.513851
  C      -5.060243     -4.216419      6.169420
  O      -5.403706     -4.520632      4.965041
  C      -6.097802     -4.420590      7.172427
  F      -7.320583     -4.578330      6.579531
  S      -5.979663     -4.643759      8.793423
  H      -0.680195     -3.197434      0.538290
  H       1.108227     -1.597146      0.949468
  H       0.930309      0.023757      2.862294
  H      -1.098548      0.034446      4.261746
  H      -7.437945     -7.330365      4.032358
  H      -9.756812     -6.824762      4.644002
  H     -10.758018     -4.599245      4.096695
  H      -9.433978     -2.942521      2.836879
  H      -0.429436     -4.248629      5.593337
  H      -0.064803     -2.925514      7.623715
  H      -2.016722     -2.035944      8.916796
  H      -4.312054     -2.622588      8.211010
  N      -7.149665     -5.120468     -0.853877
  N      -6.954125     -6.139869     -0.483358
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835997341149
  N      -2.926097     -3.496564      1.932569
  C      -2.955501     -4.212085      0.657625
  C      -2.423170     -5.606527      0.936899
  N      -3.189907     -6.151533      2.094751
  C      -4.214257     -7.128557      1.658440
  C      -5.351214     -7.094403      2.653269
  N      -5.751017     -5.697624      2.743281
  Mo     -4.243651     -4.284877      3.226709
  N      -2.786422     -4.867618      4.499693
  C      -1.681706     -5.650532      3.958858
  C      -2.288290     -6.748284      3.110983
  H      -1.084464     -6.106758      4.762950
  H      -1.004954     -5.013467      3.359362
  H      -2.889127     -7.402121      3.757878
  H      -1.516957     -7.362398      2.617139
  H      -6.182855     -7.713533      2.282040
  H      -5.043170     -7.511791      3.631218
  H      -4.593182     -6.807480      0.680060
  H      -3.769862     -8.132335      1.553937
  H      -2.385297     -3.701956     -0.128875
  H      -4.000885     -4.262697      0.316022
  H      -1.360001     -5.548123      1.204290
  H      -2.523889     -6.277885      0.071554
  C      -1.965470     -2.531454      2.161234
  C      -0.801228     -2.481753      1.351114
  C       0.222549     -1.582300      1.588386
  C       0.121240     -0.676295      2.653795
  C      -1.012447     -0.676667      3.445365
  C      -2.087230     -1.574076      3.235511
  C      -3.280321     -1.529536      4.050998
  O      -4.144142     -2.516580      3.996788
  C      -3.687961     -0.473363      4.951026
  F      -4.902139     -0.774501      5.519601
  S      -3.011068      0.961112      5.380111
  C      -7.061003     -5.430994      3.059619
  C      -7.871922     -6.380051      3.727720
  C      -9.177331     -6.088086      4.084113
  C      -9.743312     -4.840273      3.775344
  C      -8.996856     -3.911274      3.073279
  C      -7.663932     -4.178023      2.686923
  C      -6.890004     -3.247786      1.891399
  O      -5.618526     -3.250988      1.917214
  C      -7.493579     -2.279810      0.953786
  F      -8.810429     -2.534152      0.686649
  S      -6.739417     -1.039562      0.220077
  C      -2.591397     -4.228212      5.718278
  C      -1.289593     -3.936613      6.180564
  C      -1.083611     -3.171421      7.320963
  C      -2.172922     -2.677533      8.048010
  C      -3.460326     -3.003353      7.649595
  C      -3.705345     -3.798764      6.512418
  C      -5.059221     -4.217639      6.168570
  O      -5.402986     -4.522277      4.964464
  C      -6.096279     -4.421236      7.172337
  F      -7.324380     -4.551093      6.583673
  S      -5.980279     -4.621671      8.796509
  H      -0.677714     -3.197941      0.541099
  H       1.109771     -1.596962      0.953092
  H       0.929483      0.024899      2.865025
  H      -1.100700      0.035288      4.262660
  H      -7.438049     -7.331979      4.030533
  H      -9.757837     -6.826896      4.639540
  H     -10.759193     -4.601809      4.090483
  H      -9.434102     -2.944868      2.831568
  H      -0.428404     -4.248635      5.591782
  H      -0.063974     -2.925133      7.622039
  H      -2.016001     -2.036155      8.915302
  H      -4.311312     -2.623570      8.209852
  N      -7.156580     -5.129397     -0.862422
  N      -6.969355     -6.138298     -0.457467
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.835965535604
  N      -2.924629     -3.497113      1.932368
  C      -2.953029     -4.211946      0.657036
  C      -2.421413     -5.606460      0.936258
  N      -3.188947     -6.151141      2.093584
  C      -4.213001     -7.128143      1.656368
  C      -5.350278     -7.094932      2.650841
  N      -5.750017     -5.698277      2.741959
  Mo     -4.242737     -4.285060      3.225267
  N      -2.786006     -4.867324      4.499139
  C      -1.681378     -5.650630      3.958683
  C      -2.287890     -6.748099      3.110306
  H      -1.084627     -6.107222      4.762949
  H      -1.004027     -5.013755      3.359611
  H      -2.889287     -7.401683      3.756952
  H      -1.516556     -7.362494      2.616827
  H      -6.181810     -7.713639      2.278733
  H      -5.042503     -7.513139      3.628532
  H      -4.591787     -6.806490      0.678076
  H      -3.768434     -8.131806      1.551462
  H      -2.382184     -3.700902     -0.128420
  H      -3.997835     -4.262350      0.313620
  H      -1.358386     -5.548729      1.204356
  H      -2.522244     -6.277875      0.070985
  C      -1.964450     -2.531596      2.162058
  C      -0.798986     -2.482284      1.353822
  C       0.224167     -1.582250      1.591838
  C       0.120896     -0.675190      2.656178
  C      -1.013957     -0.675431      3.446097
  C      -2.087901     -1.573631      3.235508
  C      -3.281785     -1.529069      4.049856
  O      -4.144860     -2.516750      3.995406
  C      -3.690046     -0.472809      4.949344
  F      -4.902247     -0.775983      5.521084
  S      -3.012192      0.960817      5.379779
  C      -7.059713     -5.431423      3.058690
  C      -7.870854     -6.380523      3.726522
  C      -9.175674     -6.087825      4.084287
  C      -9.740844     -4.839177      3.777294
  C      -8.994445     -3.910312      3.075013
  C      -7.662215     -4.177932      2.686766
  C      -6.888529     -3.248893      1.889381
  O      -5.616894     -3.252800      1.914093
  C      -7.491950     -2.283222      0.949447
  F      -8.810411     -2.534419      0.686881
  S      -6.736951     -1.046375      0.210588
  C      -2.591457     -4.227937      5.717738
  C      -1.289835     -3.936559      6.180679
  C      -1.084356     -3.171623      7.321336
  C      -2.173995     -2.677997      8.048146
  C      -3.461219     -3.003796      7.649182
  C      -3.705709     -3.798630      6.511495
  C      -5.059252     -4.217770      6.167116
  O      -5.402486     -4.522643      4.962981
  C      -6.096524     -4.420957      7.170740
  F      -7.324508     -4.551238      6.582059
  S      -5.980598     -4.618645      8.795197
  H      -0.673656     -3.199066      0.544604
  H       1.112325     -1.597342      0.957870
  H       0.928468      0.026627      2.867893
  H      -1.103970      0.037164      4.262696
  H      -7.437422     -7.333016      4.028202
  H      -9.756263     -6.826643      4.639619
  H     -10.756093     -4.599992      4.093922
  H      -9.431075     -2.943342      2.834667
  H      -0.428425     -4.248684      5.592266
  H      -0.064851     -2.925470      7.622966
  H      -2.017397     -2.036882      8.915688
  H      -4.312468     -2.624306      8.209256
  N      -7.174977     -5.136958     -0.875062
  N      -6.996126     -6.124837     -0.417518
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836029774777
  N      -2.923664     -3.494687      1.932718
  C      -2.949905     -4.209138      0.657199
  C      -2.417970     -5.603141      0.938097
  N      -3.189391     -6.147692      2.092853
  C      -4.213181     -7.123203      1.650678
  C      -5.351012     -7.093857      2.644393
  N      -5.749209     -5.697459      2.741487
  Mo     -4.242009     -4.284657      3.224186
  N      -2.786462     -4.867682      4.498885
  C      -1.682837     -5.653771      3.960525
  C      -2.290868     -6.748652      3.109816
  H      -1.089349     -6.112664      4.765941
  H      -1.001550     -5.018833      3.363781
  H      -2.894671     -7.401531      3.754918
  H      -1.520729     -7.364213      2.616007
  H      -6.183075     -7.709934      2.269182
  H      -5.044000     -7.516786      3.620303
  H      -4.590948     -6.797713      0.673174
  H      -3.768174     -8.126310      1.542486
  H      -2.379160     -3.697363     -0.127873
  H      -3.993444     -4.262178      0.311709
  H      -1.356083     -5.544083      1.210268
  H      -2.515332     -6.275687      0.073306
  C      -1.963861     -2.529355      2.164200
  C      -0.797896     -2.479317      1.356814
  C       0.224950     -1.579281      1.596361
  C       0.120731     -0.673001      2.661298
  C      -1.014679     -0.674044      3.450362
  C      -2.088321     -1.572378      3.238387
  C      -3.282707     -1.528635      4.052045
  O      -4.146516     -2.515541      3.995754
  C      -3.690721     -0.473613      4.953278
  F      -4.905861     -0.774587      5.519912
  S      -3.013914      0.960321      5.384513
  C      -7.058065     -5.429579      3.060116
  C      -7.869389     -6.378519      3.727860
  C      -9.172537     -6.083600      4.089711
  C      -9.735531     -4.832942      3.786880
  C      -8.989659     -3.904864      3.082900
  C      -7.659443     -4.174962      2.689756
  C      -6.886655     -3.250248      1.885639
  O      -5.614851     -3.254101      1.909228
  C      -7.490468     -2.295609      0.935428
  F      -8.815467     -2.533705      0.694744
  S      -6.730660     -1.081178      0.163931
  C      -2.591810     -4.228195      5.717489
  C      -1.289975     -3.936826      6.179748
  C      -1.084080     -3.172266      7.320558
  C      -2.173520     -2.679354      8.048288
  C      -3.460859     -3.005367      7.649958
  C      -3.705622     -3.799439      6.511783
  C      -5.058896     -4.219048      6.167344
  O      -5.402218     -4.523150      4.963280
  C      -6.095513     -4.423323      7.171580
  F      -7.324576     -4.548888      6.584411
  S      -5.978120     -4.617648      8.796255
  H      -0.671415     -3.195046      0.546851
  H       1.113448     -1.593988      0.962859
  H       0.927941      0.028904      2.874111
  H      -1.105660      0.037871      4.267464
  H      -7.436985     -7.332446      4.026571
  H      -9.753305     -6.822164      4.645191
  H     -10.748998     -4.591666      4.107623
  H      -9.424888     -2.936716      2.844953
  H      -0.428999     -4.248995      5.590686
  H      -0.064503     -2.925903      7.621769
  H      -2.016548     -2.038548      8.915978
  H      -4.311997     -2.626385      8.210485
  N      -7.200549     -5.161853     -0.896090
  N      -7.018518     -6.136419     -0.413132
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836033623314
  N      -2.923906     -3.490840      1.933237
  C      -2.948436     -4.205375      0.657757
  C      -2.415060     -5.598103      0.940512
  N      -3.190729     -6.142564      2.092296
  C      -4.214311     -7.116104      1.643991
  C      -5.352420     -7.091810      2.637152
  N      -5.748533     -5.695728      2.742050
  Mo     -4.241846     -4.283485      3.223683
  N      -2.788111     -4.868048      4.499407
  C      -1.685566     -5.657402      3.963414
  C      -2.295124     -6.748744      3.109201
  H      -1.096389     -6.119234      4.770350
  H      -0.999314     -5.024618      3.369987
  H      -2.901702     -7.401257      3.752059
  H      -1.526383     -7.365252      2.614539
  H      -6.185319     -7.704444      2.258190
  H      -5.046153     -7.520842      3.610632
  H      -4.591231     -6.785336      0.667833
  H      -3.768751     -8.118419      1.530978
  H      -2.379286     -3.692025     -0.127541
  H      -3.990986     -4.261575      0.310991
  H      -1.354668     -5.536353      1.217852
  H      -2.507402     -6.272100      0.076313
  C      -1.964235     -2.526164      2.166494
  C      -0.798640     -2.474741      1.358795
  C       0.224579     -1.575601      1.600199
  C       0.121031     -0.671728      2.667257
  C      -1.014260     -0.673948      3.456485
  C      -2.088528     -1.571223      3.242615
  C      -3.283095     -1.528404      4.056188
  O      -4.148773     -2.513469      3.997156
  C      -3.689630     -0.475774      4.961241
  F      -4.899615     -0.782763      5.535605
  S      -3.006653      0.951114      5.406138
  C      -7.056509     -5.426443      3.062594
  C      -7.868124     -6.374787      3.730624
  C      -9.169489     -6.077144      4.096595
  C      -9.729930     -4.824505      3.797223
  C      -8.984537     -3.897830      3.090721
  C      -7.656444     -4.170822      2.692999
  C      -6.884795     -3.252089      1.879925
  O      -5.612767     -3.255103      1.903019
  C      -7.489464     -2.313013      0.915930
  F      -8.821751     -2.535195      0.702228
  S      -6.723003     -1.134148      0.095943
  C      -2.592838     -4.227815      5.717650
  C      -1.290522     -3.936100      6.178311
  C      -1.083665     -3.170257      7.318025
  C      -2.172528     -2.676144      8.045932
  C      -3.460235     -3.002449      7.649159
  C      -3.705869     -3.798402      6.512390
  C      -5.059037     -4.218844      6.168428
  O      -5.402634     -4.522527      4.964713
  C      -6.094905     -4.425194      7.173467
  F      -7.323638     -4.553996      6.586806
  S      -5.974786     -4.626638      8.796941
  H      -0.672228     -3.188257      0.546856
  H       1.112802     -1.589472      0.966284
  H       0.928571      0.029365      2.881504
  H      -1.104829      0.036043      4.275263
  H      -7.436931     -7.330189      4.026527
  H      -9.750678     -6.815036      4.652518
  H     -10.741523     -4.580709      4.121987
  H      -9.418334     -2.928715      2.854035
  H      -0.430315     -4.249167      5.588590
  H      -0.063859     -2.923327      7.617997
  H      -2.014667     -2.033887      8.912377
  H      -4.310870     -2.621737      8.209068
  N      -7.227253     -5.192172     -0.915631
  N      -7.033684     -6.157765     -0.420889
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836046342737
  N      -2.924002     -3.490771      1.933579
  C      -2.949150     -4.204875      0.657928
  C      -2.415188     -5.597198      0.939450
  N      -3.189926     -6.142052      2.091552
  C      -4.213562     -7.115696      1.643552
  C      -5.351248     -7.091924      2.637319
  N      -5.747605     -5.695833      2.742624
  Mo     -4.241397     -4.283379      3.224100
  N      -2.787965     -4.868413      4.500043
  C      -1.685073     -5.656984      3.963168
  C      -2.293808     -6.748076      3.108106
  H      -1.095722     -6.118925      4.769891
  H      -0.999255     -5.023334      3.370162
  H      -2.899932     -7.401430      3.750559
  H      -1.524679     -7.363739      2.613033
  H      -6.184164     -7.704553      2.258383
  H      -5.044631     -7.521074      3.610618
  H      -4.591336     -6.784397      0.667918
  H      -3.767906     -8.117868      1.529632
  H      -2.380987     -3.689728     -0.126998
  H      -3.992103     -4.259747      0.311269
  H      -1.354716     -5.535129      1.216607
  H      -2.507467     -6.270607      0.074813
  C      -1.964156     -2.526395      2.167082
  C      -0.798767     -2.474797      1.359223
  C       0.224754     -1.576086      1.600871
  C       0.121723     -0.672759      2.668413
  C      -1.013545     -0.674952      3.457780
  C      -2.088115     -1.571739      3.243571
  C      -3.282801     -1.528826      4.057148
  O      -4.148721     -2.513687      3.997543
  C      -3.689627     -0.476123      4.962008
  F      -4.905316     -0.777818      5.527056
  S      -3.010446      0.954215      5.401578
  C      -7.055747     -5.426598      3.062589
  C      -7.867417     -6.374720      3.730810
  C      -9.168960     -6.077103      4.096223
  C      -9.729419     -4.824679      3.795955
  C      -8.983897     -3.898265      3.089237
  C      -7.655614     -4.171233      2.692173
  C      -6.883955     -3.253113      1.878380
  O      -5.611808     -3.255959      1.901784
  C      -7.488662     -2.315452      0.913220
  F      -8.821013     -2.538075      0.699873
  S      -6.721420     -1.140360      0.088449
  C      -2.592503     -4.228637      5.718458
  C      -1.290125     -3.937685      6.179599
  C      -1.083258     -3.172221      7.319542
  C      -2.172041     -2.677554      8.047187
  C      -3.459810     -3.003061      7.650054
  C      -3.705527     -3.798886      6.513184
  C      -5.058762     -4.218736      6.168792
  O      -5.402387     -4.522116      4.965103
  C      -6.094994     -4.424873      7.173734
  F      -7.323651     -4.552715      6.586885
  S      -5.975081     -4.627053      8.797060
  H      -0.672817     -3.187981      0.546886
  H       1.112896     -1.589835      0.966836
  H       0.929559      0.027925      2.882864
  H      -1.103667      0.034687      4.276877
  H      -7.436161     -7.329946      4.027219
  H      -9.750264     -6.814740      4.652356
  H     -10.741182     -4.580859      4.120183
  H      -9.417837     -2.929402      2.851746
  H      -0.429873     -4.250916      5.590069
  H      -0.063406     -2.925874      7.619843
  H      -2.014044     -2.035466      8.913743
  H      -4.310338     -2.621508      8.209533
  N      -7.236536     -5.192161     -0.917022
  N      -7.044150     -6.146955     -0.399840
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836050677307
  N      -2.924839     -3.490373      1.932944
  C      -2.950564     -4.204963      0.657469
  C      -2.415572     -5.596788      0.939034
  N      -3.189520     -6.142062      2.091651
  C      -4.213188     -7.115964      1.644434
  C      -5.350571     -7.091842      2.638642
  N      -5.747150     -5.695666      2.743245
  Mo     -4.241587     -4.283089      3.224364
  N      -2.788294     -4.868258      4.500427
  C      -1.684916     -5.656032      3.963137
  C      -2.292872     -6.747452      3.108039
  H      -1.095312     -6.117650      4.769849
  H      -0.999686     -5.021730      3.370203
  H      -2.898398     -7.401472      3.750379
  H      -1.523252     -7.362377      2.612820
  H      -6.183517     -7.704814      2.260317
  H      -5.043654     -7.520307      3.612127
  H      -4.591486     -6.784810      0.668993
  H      -3.767492     -8.118093      1.530360
  H      -2.383114     -3.689765     -0.127926
  H      -3.994098     -4.259212      0.311773
  H      -1.355084     -5.533822      1.216017
  H      -2.507193     -6.270100      0.074242
  C      -1.964885     -2.526063      2.165964
  C      -0.800144     -2.473662      1.357137
  C       0.223586     -1.575191      1.598723
  C       0.121479     -0.672767      2.667117
  C      -1.013255     -0.675460      3.457274
  C      -2.087943     -1.572022      3.243131
  C      -3.282265     -1.529016      4.057030
  O      -4.148709     -2.513457      3.997285
  C      -3.687850     -0.476229      4.962331
  F      -4.904653     -0.775863      5.526148
  S      -3.006506      0.952839      5.402499
  C      -7.055571     -5.426513      3.062527
  C      -7.866817     -6.374240      3.731743
  C      -9.168377     -6.076665      4.097175
  C      -9.729019     -4.824518      3.796178
  C      -8.983820     -3.898456      3.088639
  C      -7.655679     -4.171613      2.691042
  C      -6.883978     -3.253734      1.876902
  O      -5.611817     -3.256281      1.900907
  C      -7.488245     -2.317098      0.910408
  F      -8.820150     -2.540750      0.695232
  S      -6.721025     -1.140840      0.087288
  C      -2.592854     -4.228827      5.719041
  C      -1.290546     -3.938751      6.181022
  C      -1.083866     -3.174481      7.321820
  C      -2.172684     -2.680439      8.049774
  C      -3.460416     -3.005069      7.651830
  C      -3.705979     -3.799056      6.513695
  C      -5.059291     -4.218002      6.168807
  O      -5.403036     -4.520978      4.965129
  C      -6.095806     -4.422943      7.173765
  F      -7.324469     -4.550425      6.586931
  S      -5.975916     -4.623798      8.797209
  H      -0.675187     -3.186216      0.544116
  H       1.111231     -1.588208      0.963978
  H       0.929556      0.027652      2.881509
  H      -1.102696      0.033737      4.276870
  H      -7.435125     -7.329008      4.029013
  H      -9.749353     -6.813852      4.654238
  H     -10.740682     -4.580570      4.120628
  H      -9.417887     -2.929738      2.851106
  H      -0.430090     -4.251767      5.591698
  H      -0.064029     -2.929009      7.622884
  H      -2.014763     -2.039779      8.917401
  H      -4.311065     -2.624477      8.211972
  N      -7.237980     -5.189838     -0.913983
  N      -7.040781     -6.148743     -0.406505
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836055410209
  N      -2.925776     -3.489262      1.932902
  C      -2.952149     -4.203871      0.657332
  C      -2.415900     -5.595141      0.938516
  N      -3.189209     -6.141310      2.091439
  C      -4.213025     -7.115116      1.644448
  C      -5.349733     -7.091421      2.639580
  N      -5.746165     -5.695143      2.744839
  Mo     -4.241639     -4.282699      3.224985
  N      -2.788897     -4.868719      4.501252
  C      -1.684974     -5.655493      3.963214
  C      -2.292011     -6.746710      3.107298
  H      -1.095386     -6.117328      4.769808
  H      -1.000146     -5.020199      3.370958
  H      -2.896882     -7.401966      3.748987
  H      -1.521798     -7.360433      2.611524
  H      -6.183041     -7.704162      2.261707
  H      -5.042197     -7.520049      3.612768
  H      -4.592278     -6.783098      0.669687
  H      -3.767280     -8.117054      1.529061
  H      -2.385717     -3.688036     -0.128376
  H      -3.996441     -4.257219      0.312955
  H      -1.355526     -5.531125      1.215767
  H      -2.506367     -6.268223      0.073414
  C      -1.965775     -2.525074      2.165692
  C      -0.802116     -2.471224      1.355286
  C       0.222115     -1.573460      1.597113
  C       0.121719     -0.673057      2.667364
  C      -1.012116     -0.676723      3.458855
  C      -2.087382     -1.572430      3.244361
  C      -3.281261     -1.529811      4.058891
  O      -4.148737     -2.513348      3.997775
  C      -3.685601     -0.478105      4.966022
  F      -4.903353     -0.776879      5.528381
  S      -3.001432      0.948124      5.410792
  C      -7.054962     -5.425782      3.063085
  C      -7.865972     -6.372813      3.733414
  C      -9.167594     -6.074964      4.098490
  C      -9.728155     -4.823160      3.795966
  C      -8.983096     -3.897902      3.087182
  C      -7.654997     -4.171511      2.689758
  C      -6.883283     -3.255279      1.873614
  O      -5.611046     -3.257201      1.898659
  C      -7.487344     -2.322659      0.903399
  F      -8.820218     -2.544232      0.691908
  S      -6.719089     -1.152288      0.072584
  C      -2.593139     -4.229551      5.719947
  C      -1.290786     -3.940289      6.182401
  C      -1.083989     -3.176206      7.323312
  C      -2.172602     -2.681494      8.051017
  C      -3.460436     -3.005235      7.652695
  C      -3.706196     -3.798965      6.514443
  C      -5.059780     -4.216880      6.169337
  O      -5.403899     -4.519399      4.965869
  C      -6.096576     -4.421413      7.174462
  F      -7.325399     -4.546181      6.587651
  S      -5.976645     -4.624079      8.797595
  H      -0.678819     -3.182441      0.540856
  H       1.108944     -1.585258      0.961199
  H       0.930378      0.026589      2.882064
  H      -1.100146      0.031164      4.279724
  H      -7.433904     -7.327060      4.031852
  H      -9.748540     -6.811388      4.656578
  H     -10.739810     -4.578837      4.120181
  H      -9.417295     -2.929543      2.848527
  H      -0.430247     -4.253570      5.593367
  H      -0.064073     -2.931425      7.624677
  H      -2.014470     -2.041101      8.918799
  H      -4.310942     -2.624208      8.212800
  N      -7.248357     -5.193881     -0.913610
  N      -7.041751     -6.152620     -0.409232
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836059382048
  N      -2.926191     -3.487978      1.933236
  C      -2.953414     -4.202245      0.657313
  C      -2.416295     -5.593144      0.938012
  N      -3.189066     -6.140157      2.090961
  C      -4.213140     -7.113546      1.643877
  C      -5.348917     -7.090626      2.640164
  N      -5.744859     -5.694247      2.746915
  Mo     -4.241552     -4.282035      3.225542
  N      -2.789565     -4.869223      4.502096
  C      -1.685196     -5.655089      3.963254
  C      -2.291410     -6.745844      3.106198
  H      -1.095698     -6.117558      4.769558
  H      -1.000611     -5.018737      3.371918
  H      -2.895644     -7.402503      3.747033
  H      -1.520534     -7.358295      2.609862
  H      -6.182837     -7.702764      2.262746
  H      -5.040480     -7.519927      3.612745
  H      -4.593461     -6.780282      0.669936
  H      -3.767489     -8.115321      1.526827
  H      -2.388015     -3.685818     -0.128710
  H      -3.998479     -4.254719      0.314676
  H      -1.356011     -5.528481      1.215458
  H      -2.506060     -6.266204      0.072801
  C      -1.966334     -2.523702      2.165857
  C      -0.803745     -2.468284      1.353870
  C       0.220770     -1.570949      1.595761
  C       0.121833     -0.672362      2.667689
  C      -1.011019     -0.677234      3.460588
  C      -2.086636     -1.572465      3.246028
  C      -3.280014     -1.530512      4.061329
  O      -4.148682     -2.513020      3.998176
  C      -3.683076     -0.480613      4.971088
  F      -4.902112     -0.778617      5.531292
  S      -2.995209      0.941459      5.423256
  C      -7.054058     -5.424521      3.064019
  C      -7.865000     -6.370771      3.735380
  C      -9.166674     -6.072455      4.099943
  C      -9.726994     -4.820983      3.795607
  C      -8.981966     -3.896732      3.085433
  C      -7.653848     -4.170900      2.688576
  C      -6.882188     -3.257064      1.869466
  O      -5.609852     -3.258363      1.895460
  C      -7.486242     -2.329885      0.894526
  F      -8.820843     -2.547507      0.689760
  S      -6.716384     -1.169515      0.050768
  C      -2.593444     -4.230431      5.720915
  C      -1.291044     -3.942109      6.183809
  C      -1.083990     -3.178247      7.324844
  C      -2.172310     -2.682864      8.052444
  C      -3.460270     -3.005727      7.653805
  C      -3.706316     -3.799047      6.515360
  C      -5.060246     -4.215548      6.170045
  O      -5.404986     -4.517225      4.966812
  C      -6.097256     -4.419603      7.175519
  F      -7.326342     -4.541203      6.588904
  S      -5.976860     -4.625343      8.798118
  H      -0.681819     -3.178269      0.538180
  H       1.106755     -1.581451      0.958648
  H       0.930857      0.026817      2.882527
  H      -1.097842      0.029406      4.282651
  H      -7.432638     -7.324520      4.035033
  H      -9.747786     -6.808033      4.658959
  H     -10.738676     -4.576148      4.119379
  H      -9.416279     -2.928815      2.845124
  H      -0.430446     -4.255742      5.595068
  H      -0.063953     -2.934179      7.626384
  H      -2.013887     -2.042642      8.920289
  H      -4.310578     -2.624172      8.213835
  N      -7.264367     -5.203358     -0.914468
  N      -7.043793     -6.158639     -0.409305
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836062440904
  N      -2.925673     -3.487365      1.933949
  C      -2.953600     -4.200842      0.657430
  C      -2.416613     -5.591919      0.937424
  N      -3.188958     -6.139542      2.090316
  C      -4.213360     -7.112477      1.643315
  C      -5.348314     -7.090018      2.640579
  N      -5.743726     -5.693528      2.748562
  Mo     -4.241362     -4.281547      3.225801
  N      -2.790118     -4.869801      4.502689
  C      -1.685458     -5.654876      3.963127
  C      -2.291053     -6.745318      3.105207
  H      -1.095749     -6.117943      4.768941
  H      -1.001277     -5.017589      3.372362
  H      -2.894763     -7.403056      3.745413
  H      -1.519529     -7.356824      2.608671
  H      -6.182815     -7.701626      2.263688
  H      -5.039005     -7.519840      3.612639
  H      -4.594492     -6.778439      0.669947
  H      -3.767978     -8.114259      1.525230
  H      -2.388451     -3.684233     -0.128592
  H      -3.999172     -4.252391      0.316247
  H      -1.356217     -5.527551      1.214485
  H      -2.506766     -6.264825      0.072112
  C      -1.966194     -2.522735      2.166478
  C      -0.804294     -2.466219      1.353466
  C       0.220032     -1.568649      1.594991
  C       0.121581     -0.670724      2.667551
  C      -1.010516     -0.676637      3.461482
  C      -2.085932     -1.572261      3.247461
  C      -3.278847     -1.531151      4.063479
  O      -4.148329     -2.512991      3.998300
  C      -3.680970     -0.483380      4.976005
  F      -4.901561     -0.780632      5.533424
  S      -2.989847      0.934629      5.435870
  C      -7.053266     -5.423482      3.064650
  C      -7.864218     -6.369107      3.736784
  C      -9.165874     -6.070330      4.101027
  C      -9.725892     -4.819021      3.795484
  C      -8.980841     -3.895555      3.084292
  C      -7.652790     -4.170291      2.687620
  C      -6.881098     -3.258301      1.866223
  O      -5.608677     -3.259469      1.892704
  C      -7.484926     -2.335035      0.887790
  F      -8.820733     -2.549548      0.687497
  S      -6.713774     -1.181585      0.035361
  C      -2.593820     -4.231293      5.721601
  C      -1.291426     -3.943564      6.184805
  C      -1.084176     -3.179571      7.325738
  C      -2.172289     -2.683408      8.053078
  C      -3.460320     -3.005748      7.654216
  C      -3.706561     -3.799192      6.515903
  C      -5.060793     -4.214516      6.170452
  O      -5.406061     -4.515432      4.967389
  C      -6.097956     -4.418518      7.176178
  F      -7.327338     -4.536836      6.589716
  S      -5.977220     -4.627623      8.798228
  H      -0.682906     -3.175721      0.537280
  H       1.105463     -1.578248      0.957095
  H       0.930447      0.028741      2.882056
  H      -1.096913      0.029485      4.284041
  H      -7.431675     -7.322486      4.037376
  H      -9.747135     -6.805244      4.660753
  H     -10.737514     -4.573681      4.119081
  H      -9.415103     -2.927878      2.842974
  H      -0.430737     -4.257618      5.596427
  H      -0.064040     -2.935928      7.627290
  H      -2.013685     -2.042915      8.920678
  H      -4.310489     -2.623451      8.213897
  N      -7.280983     -5.214217     -0.917131
  N      -7.046068     -6.163683     -0.407436
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836067485969
  N      -2.923838     -3.486995      1.935276
  C      -2.952939     -4.199056      0.657776
  C      -2.417116     -5.590920      0.936573
  N      -3.188768     -6.138998      2.089377
  C      -4.213726     -7.111317      1.642833
  C      -5.347558     -7.089204      2.641368
  N      -5.742190     -5.692541      2.750855
  Mo     -4.240904     -4.280681      3.225958
  N      -2.790694     -4.870310      4.503395
  C      -1.685811     -5.654430      3.962904
  C      -2.290718     -6.744605      3.104087
  H      -1.095451     -6.118207      4.767845
  H      -1.002368     -5.016002      3.372506
  H      -2.893789     -7.403477      3.743705
  H      -1.518318     -7.355147      2.607654
  H      -6.182846     -7.700140      2.265287
  H      -5.037027     -7.519639      3.612753
  H      -4.595821     -6.776721      0.670035
  H      -3.768874     -8.113273      1.523930
  H      -2.387560     -3.682703     -0.128145
  H      -3.999108     -4.249081      0.318525
  H      -1.356312     -5.527827      1.212327
  H      -2.509025     -6.263433      0.071112
  C      -1.965119     -2.521595      2.167571
  C      -0.803835     -2.464146      1.353629
  C       0.219643     -1.565359      1.593884
  C       0.120763     -0.666808      2.665936
  C      -1.010415     -0.673970      3.461061
  C      -2.084799     -1.571382      3.248884
  C      -3.276961     -1.531618      4.065997
  O      -4.147345     -2.512780      3.998022
  C      -3.677849     -0.487194      4.982732
  F      -4.901271     -0.782813      5.535045
  S      -2.981863      0.924495      5.454668
  C      -7.052184     -5.422083      3.065442
  C      -7.863408     -6.366938      3.738245
  C      -9.165189     -6.067619      4.101565
  C      -9.724866     -4.816612      3.794169
  C      -8.979519     -3.894103      3.082043
  C      -7.651307     -4.169397      2.686349
  C      -6.879517     -3.259598      1.862362
  O      -5.606982     -3.260901      1.889078
  C      -7.483211     -2.340330      0.880549
  F      -8.820412     -2.551164      0.685509
  S      -6.710623     -1.194906      0.018165
  C      -2.594301     -4.232238      5.722491
  C      -1.291932     -3.945330      6.186173
  C      -1.084436     -3.181641      7.327290
  C      -2.172314     -2.685028      8.054680
  C      -3.460391     -3.006702      7.655416
  C      -3.706821     -3.799522      6.516711
  C      -5.061404     -4.213139      6.170998
  O      -5.407506     -4.512742      4.968087
  C      -6.098599     -4.416829      7.177176
  F      -7.328441     -4.531615      6.591157
  S      -5.976919     -4.629799      8.798515
  H      -0.682278     -3.173931      0.537717
  H       1.104577     -1.574224      0.955293
  H       0.928715      0.034121      2.879135
  H      -1.097090      0.032424      4.283391
  H      -7.430795     -7.319863      4.040194
  H      -9.746819     -6.801771      4.661901
  H     -10.736607     -4.570740      4.117010
  H      -9.413718     -2.926809      2.839027
  H      -0.431105     -4.259804      5.598219
  H      -0.064166     -2.938654      7.628918
  H      -2.013534     -2.044659      8.922319
  H      -4.310478     -2.623981      8.214924
  N      -7.307794     -5.232447     -0.922994
  N      -7.049527     -6.170376     -0.403419
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836071753756
  N      -2.921595     -3.487335      1.936521
  C      -2.951564     -4.198205      0.658327
  C      -2.417466     -5.591131      0.935997
  N      -3.188714     -6.139117      2.088719
  C      -4.214085     -7.111106      1.642655
  C      -5.347422     -7.088919      2.641690
  N      -5.741556     -5.692156      2.751812
  Mo     -4.240545     -4.280173      3.225805
  N      -2.791069     -4.870619      4.503691
  C      -1.686213     -5.654302      3.962781
  C      -2.290887     -6.744439      3.103675
  H      -1.095164     -6.118310      4.767083
  H      -1.003331     -5.015411      3.372168
  H      -2.893816     -7.403515      3.743207
  H      -1.518070     -7.354840      2.607672
  H      -6.183086     -7.699497      2.265947
  H      -5.036382     -7.519673      3.612766
  H      -4.596462     -6.776648      0.669931
  H      -3.769659     -8.113308      1.523887
  H      -2.385473     -3.682470     -0.127431
  H      -3.997951     -4.246948      0.320041
  H      -1.356182     -5.529682      1.210272
  H      -2.511547     -6.262947      0.070219
  C      -1.963551     -2.521253      2.168686
  C      -0.802249     -2.463850      1.354767
  C       0.220107     -1.563417      1.593544
  C       0.119767     -0.662927      2.663858
  C      -1.011019     -0.670672      3.459430
  C      -2.083994     -1.570441      3.249439
  C      -3.275552     -1.531812      4.067380
  O      -4.146317     -2.512728      3.997628
  C      -3.675634     -0.489993      4.987348
  F      -4.901462     -0.784064      5.535188
  S      -2.976373      0.917146      5.468175
  C      -7.051699     -5.421461      3.065570
  C      -7.863249     -6.365969      3.738456
  C      -9.164997     -6.066228      4.101494
  C      -9.724292     -4.815140      3.793750
  C      -8.978656     -3.893034      3.081418
  C      -7.650506     -4.168813      2.685745
  C      -6.878550     -3.259852      1.860834
  O      -5.605944     -3.261704      1.887266
  C      -7.481841     -2.341849      0.877690
  F      -8.819353     -2.551531      0.683411
  S      -6.708545     -1.198336      0.013237
  C      -2.594796     -4.232722      5.722897
  C      -1.292427     -3.945913      6.186630
  C      -1.084829     -3.182192      7.327699
  C      -2.172649     -2.685346      8.055081
  C      -3.460710     -3.006939      7.655747
  C      -3.707205     -3.799834      6.517064
  C      -5.061935     -4.212778      6.171180
  O      -5.408439     -4.511460      4.968250
  C      -6.099034     -4.417004      7.177504
  F      -7.329188     -4.529727      6.591755
  S      -5.976799     -4.632438      8.798416
  H      -0.679619     -3.174754      0.539987
  H       1.105077     -1.572405      0.955007
  H       0.926413      0.040012      2.875418
  H      -1.098769      0.036849      4.280721
  H      -7.430858     -7.318839      4.040909
  H      -9.746845     -6.800077      4.662004
  H     -10.735951     -4.568852      4.116531
  H      -9.412529     -2.925679      2.838192
  H      -0.431560     -4.260566      5.598824
  H      -0.064497     -2.939274      7.629171
  H      -2.013843     -2.044769      8.922555
  H      -4.310803     -2.623829      8.214943
  N      -7.326848     -5.246145     -0.928855
  N      -7.049919     -6.173469     -0.400217
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836075143138
  N      -2.919721     -3.487795      1.937295
  C      -2.950249     -4.198146      0.658930
  C      -2.417789     -5.592024      0.935829
  N      -3.188794     -6.139442      2.088685
  C      -4.214323     -7.111558      1.643206
  C      -5.347667     -7.088967      2.642154
  N      -5.741707     -5.692197      2.751966
  Mo     -4.240299     -4.279735      3.225598
  N      -2.791084     -4.870310      4.503706
  C      -1.686413     -5.654031      3.962811
  C      -2.291253     -6.744384      3.104069
  H      -1.094781     -6.117697      4.766872
  H      -1.003871     -5.015330      3.371512
  H      -2.894393     -7.402878      3.744007
  H      -1.518549     -7.355296      2.608521
  H      -6.183289     -7.699579      2.266364
  H      -5.036765     -7.519646      3.613309
  H      -4.596563     -6.777784      0.670223
  H      -3.770009     -8.113928      1.525213
  H      -2.383390     -3.683146     -0.126776
  H      -3.996590     -4.245845      0.320669
  H      -1.356098     -5.531976      1.208873
  H      -2.513709     -6.263014      0.069632
  C      -1.962055     -2.521337      2.169282
  C      -0.800501     -2.464619      1.355774
  C       0.220849     -1.562617      1.593047
  C       0.118880     -0.659731      2.661180
  C      -1.011804     -0.667469      3.456831
  C      -2.083445     -1.569474      3.249022
  C      -3.274530     -1.531500      4.067552
  O      -4.145407     -2.512360      3.997219
  C      -3.674041     -0.491041      4.989372
  F      -4.901507     -0.783701      5.534170
  S      -2.972703      0.913351      5.475411
  C      -7.051744     -5.421369      3.065472
  C      -7.863770     -6.365786      3.737957
  C      -9.165582     -6.065834      4.100579
  C      -9.724673     -4.814661      3.792769
  C      -8.978600     -3.892621      3.080833
  C      -7.650323     -4.168538      2.685634
  C      -6.878206     -3.259521      1.861075
  O      -5.605569     -3.261774      1.887161
  C      -7.481405     -2.340638      0.878612
  F      -8.818659     -2.550962      0.683226
  S      -6.708136     -1.195988      0.015728
  C      -2.595005     -4.232486      5.723021
  C      -1.292598     -3.945459      6.186625
  C      -1.085047     -3.182259      7.328023
  C      -2.172950     -2.686238      8.055927
  C      -3.460943     -3.007979      7.656619
  C      -3.707364     -3.800123      6.517365
  C      -5.062015     -4.213111      6.171304
  O      -5.408655     -4.511091      4.968210
  C      -6.098816     -4.417751      7.177702
  F      -7.329072     -4.531405      6.592256
  S      -5.975924     -4.632772      8.798620
  H      -0.676683     -3.176932      0.542390
  H       1.106085     -1.572270      0.954888
  H       0.924256      0.045185      2.871033
  H      -1.100750      0.041525      4.276768
  H      -7.431846     -7.318821      4.040554
  H      -9.747684     -6.799701      4.660813
  H     -10.736415     -4.568270      4.115195
  H      -9.412201     -2.925173      2.837455
  H      -0.431796     -4.259736      5.598523
  H      -0.064732     -2.939206      7.629435
  H      -2.014231     -2.046183      8.923804
  H      -4.311167     -2.625499      8.216099
  N      -7.337810     -5.254343     -0.934326
  N      -7.047108     -6.173831     -0.399710
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836077757206
  N      -2.918783     -3.487998      1.937636
  C      -2.949670     -4.198383      0.659490
  C      -2.418284     -5.592863      0.935852
  N      -3.189115     -6.139699      2.089014
  C      -4.214558     -7.112260      1.643982
  C      -5.348202     -7.089240      2.642536
  N      -5.742420     -5.692540      2.751498
  Mo     -4.240301     -4.279501      3.225455
  N      -2.791087     -4.869893      4.503584
  C      -1.686543     -5.653769      3.962865
  C      -2.291682     -6.744392      3.104690
  H      -1.094569     -6.116809      4.767020
  H      -1.004154     -5.015494      3.370867
  H      -2.895152     -7.402082      3.745157
  H      -1.519415     -7.355955      2.609307
  H      -6.183531     -7.700115      2.266433
  H      -5.037856     -7.519617      3.614006
  H      -4.596547     -6.779203      0.670683
  H      -3.770017     -8.114623      1.526786
  H      -2.382382     -3.683906     -0.126311
  H      -3.995907     -4.245112      0.320799
  H      -1.356348     -5.533648      1.208190
  H      -2.515242     -6.263022      0.069161
  C      -1.961144     -2.521535      2.169560
  C      -0.799350     -2.465485      1.356445
  C       0.221463     -1.562582      1.592790
  C       0.118458     -0.658090      2.659425
  C      -1.012222     -0.665645      3.455069
  C      -2.083084     -1.568982      3.248664
  C      -3.273836     -1.531352      4.067617
  O      -4.144915     -2.511985      3.997185
  C      -3.672751     -0.491545      4.990621
  F      -4.901195     -0.783135      5.533576
  S      -2.970083      0.911237      5.479491
  C      -7.052177     -5.421591      3.065187
  C      -7.864579     -6.366008      3.737275
  C      -9.166299     -6.065813      4.100003
  C      -9.725112     -4.814356      3.792793
  C      -8.978763     -3.892278      3.081210
  C      -7.650589     -4.168458      2.685747
  C      -6.878275     -3.259133      1.861881
  O      -5.605631     -3.261551      1.887981
  C      -7.481099     -2.339470      0.879705
  F      -8.817866     -2.550938      0.682251
  S      -6.707864     -1.192806      0.019660
  C      -2.595149     -4.232032      5.722950
  C      -1.292671     -3.944356      6.186123
  C      -1.085236     -3.181319      7.327605
  C      -2.173275     -2.686062      8.055871
  C      -3.461209     -3.008254      7.656868
  C      -3.707536     -3.800334      6.517513
  C      -5.062021     -4.214016      6.171361
  O      -5.408497     -4.511576      4.968042
  C      -6.098544     -4.419697      7.177628
  F      -7.328746     -4.534748      6.592259
  S      -5.975490     -4.633877      8.798704
  H      -0.674839     -3.178745      0.543994
  H       1.106948     -1.572878      0.954992
  H       0.923040      0.048075      2.868153
  H      -1.101863      0.044331      4.274107
  H      -7.433172     -7.319357      4.039627
  H      -9.748515     -6.799765      4.660010
  H     -10.736743     -4.567802      4.115425
  H      -9.411980     -2.924540      2.838381
  H      -0.432029     -4.258064      5.597487
  H      -0.064993     -2.937716      7.628808
  H      -2.014661     -2.046180      8.923904
  H      -4.311536     -2.626246      8.216527
  N      -7.342572     -5.257802     -0.938463
  N      -7.040743     -6.172243     -0.401542
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836080434639
  N      -2.918727     -3.487770      1.937640
  C      -2.950082     -4.198627      0.659956
  C      -2.419298     -5.593412      0.935968
  N      -3.189595     -6.139761      2.089795
  C      -4.214770     -7.113123      1.645530
  C      -5.348661     -7.089504      2.643783
  N      -5.743310     -5.692899      2.751222
  Mo     -4.240435     -4.279159      3.225597
  N      -2.790946     -4.869139      4.503518
  C      -1.686352     -5.652932      3.962798
  C      -2.291730     -6.744031      3.105456
  H      -1.093961     -6.115086      4.767136
  H      -1.004338     -5.014946      3.370043
  H      -2.895242     -7.401049      3.746580
  H      -1.519982     -7.356040      2.609878
  H      -6.183584     -7.700962      2.267606
  H      -5.038869     -7.519074      3.615789
  H      -4.596780     -6.780956      0.671974
  H      -3.769712     -8.115331      1.529147
  H      -2.382668     -3.684591     -0.126133
  H      -3.996353     -4.244019      0.320873
  H      -1.357165     -5.534607      1.207696
  H      -2.516902     -6.262885      0.068859
  C      -1.960831     -2.521596      2.169378
  C      -0.799199     -2.465866      1.356068
  C       0.221553     -1.562691      1.591755
  C       0.118499     -0.657595      2.657833
  C      -1.011921     -0.665045      3.453868
  C      -2.082574     -1.568856      3.248400
  C      -3.272953     -1.531311      4.067865
  O      -4.144578     -2.511355      3.997438
  C      -3.670960     -0.491787      4.991848
  F      -4.900103     -0.782276      5.533625
  S      -2.966585      0.909284      5.483127
  C      -7.052806     -5.421815      3.065039
  C      -7.865593     -6.366123      3.736887
  C      -9.167390     -6.065796      4.099228
  C      -9.726109     -4.814315      3.791836
  C      -8.979440     -3.892323      3.080486
  C      -7.651131     -4.168593      2.685535
  C      -6.878514     -3.259082      1.862450
  O      -5.605878     -3.261200      1.889269
  C      -7.480981     -2.338896      0.880383
  F      -8.817357     -2.551386      0.681482
  S      -6.707723     -1.191089      0.022085
  C      -2.595052     -4.231340      5.722970
  C      -1.292525     -3.942934      6.185711
  C      -1.085271     -3.180317      7.327473
  C      -2.173469     -2.686272      8.056324
  C      -3.461338     -3.008976      7.657616
  C      -3.707507     -3.800573      6.517890
  C      -5.061791     -4.214986      6.171615
  O      -5.408055     -4.512064      4.968033
  C      -6.098047     -4.421594      7.177738
  F      -7.328092     -4.538673      6.592378
  S      -5.974952     -4.634499      8.799058
  H      -0.674899     -3.179475      0.543890
  H       1.106968     -1.573292      0.953859
  H       0.922805      0.049109      2.865816
  H      -1.101461      0.045318      4.272594
  H      -7.434604     -7.319616      4.039390
  H      -9.749779     -6.799730      4.659084
  H     -10.737844     -4.567743      4.114119
  H      -9.412471     -2.924539      2.837460
  H      -0.432050     -4.255745      5.596363
  H      -0.065141     -2.936082      7.628548
  H      -2.014992     -2.046862      8.924738
  H      -4.311778     -2.627882      8.217761
  N      -7.346363     -5.258908     -0.941727
  N      -7.030965     -6.169534     -0.406129
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836082887436
  N      -2.919480     -3.487057      1.937437
  C      -2.951437     -4.198509      0.660195
  C      -2.420775     -5.593286      0.936059
  N      -3.190274     -6.139444      2.090698
  C      -4.215060     -7.113727      1.647227
  C      -5.349032     -7.089593      2.645385
  N      -5.744172     -5.693085      2.751150
  Mo     -4.240732     -4.278788      3.225918
  N      -2.790780     -4.868301      4.503436
  C      -1.685955     -5.651737      3.962493
  C      -2.291484     -6.743317      3.105933
  H      -1.093160     -6.113118      4.766963
  H      -1.004453     -5.013735      3.369203
  H      -2.894658     -7.400105      3.747617
  H      -1.520171     -7.355359      2.609770
  H      -6.183602     -7.701750      2.269448
  H      -5.039562     -7.518128      3.617954
  H      -4.597400     -6.782340      0.673572
  H      -3.769309     -8.115661      1.531428
  H      -2.384204     -3.684816     -0.126321
  H      -3.997917     -4.242417      0.321062
  H      -1.358497     -5.534484      1.207261
  H      -2.518717     -6.262510      0.068821
  C      -1.961147     -2.521379      2.169047
  C      -0.800001     -2.465399      1.355027
  C       0.221193     -1.562723      1.590680
  C       0.119097     -0.658380      2.657463
  C      -1.010856     -0.665987      3.454191
  C      -2.081960     -1.569231      3.248784
  C      -3.272012     -1.531615      4.068749
  O      -4.144600     -2.510651      3.997984
  C      -3.668818     -0.492364      4.993812
  F      -4.898550     -0.781757      5.534765
  S      -2.962372      0.906727      5.487578
  C      -7.053475     -5.421843      3.065052
  C      -7.866449     -6.365891      3.737108
  C      -9.168303     -6.065410      4.099093
  C      -9.726981     -4.814026      3.791144
  C      -8.980187     -3.892307      3.079570
  C      -7.651798     -4.168745      2.685024
  C      -6.878794     -3.259477      1.862191
  O      -5.606176     -3.260991      1.890400
  C      -7.480589     -2.340255      0.878745
  F      -8.816964     -2.552541      0.679808
  S      -6.706672     -1.193882      0.019189
  C      -2.594852     -4.230663      5.723001
  C      -1.292332     -3.941426      6.185292
  C      -1.085267     -3.179040      7.327225
  C      -2.173603     -2.686079      8.056559
  C      -3.461414     -3.009423      7.658187
  C      -3.707410     -3.800838      6.518315
  C      -5.061524     -4.215927      6.171961
  O      -5.407539     -4.512527      4.968126
  C      -6.097628     -4.423674      7.177868
  F      -7.327511     -4.541823      6.592360
  S      -5.974810     -4.636409      8.799310
  H      -0.676714     -3.178539      0.542291
  H       1.106221     -1.573099      0.952246
  H       0.923734      0.047947      2.865439
  H      -1.099501      0.043881      4.273437
  H      -7.435625     -7.319325      4.040029
  H      -9.750786     -6.799132      4.659126
  H     -10.738773     -4.567365      4.113173
  H      -9.413130     -2.924586      2.836136
  H      -0.431983     -4.253288      5.595264
  H      -0.065268     -2.934031      7.628109
  H      -2.015263     -2.046872      8.925154
  H      -4.311916     -2.629094      8.218754
  N      -7.351502     -5.259581     -0.943971
  N      -7.019072     -6.166521     -0.412338
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836085200487
  N      -2.920666     -3.486294      1.937126
  C      -2.953241     -4.198194      0.660099
  C      -2.422377     -5.592749      0.936053
  N      -3.190858     -6.138990      2.091535
  C      -4.215242     -7.114150      1.648962
  C      -5.349103     -7.089501      2.647261
  N      -5.744756     -5.693044      2.751348
  Mo     -4.241081     -4.278472      3.226369
  N      -2.790423     -4.867384      4.503325
  C      -1.685268     -5.650206      3.961929
  C      -2.290804     -6.742312      3.106087
  H      -1.091946     -6.111044      4.766314
  H      -1.004503     -5.011840      3.368257
  H      -2.893190     -7.399369      3.748236
  H      -1.519646     -7.353960      2.609211
  H      -6.183433     -7.702447      2.272021
  H      -5.039536     -7.516790      3.620355
  H      -4.598119     -6.783580      0.675275
  H      -3.768868     -8.115843      1.533730
  H      -2.386229     -3.684782     -0.126794
  H      -3.999988     -4.240863      0.321294
  H      -1.359949     -5.533706      1.206609
  H      -2.520647     -6.262302      0.069110
  C      -1.961864     -2.521157      2.168619
  C      -0.801390     -2.464568      1.353588
  C       0.220577     -1.562929      1.589679
  C       0.120105     -0.660248      2.658030
  C      -1.009319     -0.668110      3.455529
  C      -2.081362     -1.570017      3.249462
  C      -3.271243     -1.532049      4.069741
  O      -4.144874     -2.510036      3.998556
  C      -3.666997     -0.492790      4.995375
  F      -4.896977     -0.781380      5.536256
  S      -2.958894      0.904925      5.490445
  C      -7.054045     -5.421769      3.065191
  C      -7.866971     -6.365527      3.737777
  C      -9.169019     -6.065133      4.099095
  C      -9.727953     -4.814157      3.789921
  C      -8.981185     -3.892724      3.077940
  C      -7.652550     -4.169051      2.684234
  C      -6.879138     -3.260070      1.861508
  O      -5.606560     -3.260876      1.891397
  C      -7.480240     -2.342054      0.876575
  F      -8.816900     -2.553228      0.678632
  S      -6.705386     -1.198284      0.014342
  C      -2.594467     -4.230012      5.723027
  C      -1.292045     -3.940136      6.185105
  C      -1.085177     -3.178012      7.327260
  C      -2.173635     -2.686016      8.057015
  C      -3.461374     -3.009931      7.658791
  C      -3.707158     -3.801043      6.518695
  C      -5.061149     -4.216495      6.172306
  O      -5.406965     -4.512800      4.968282
  C      -6.097250     -4.424898      7.178015
  F      -7.327008     -4.543396      6.592281
  S      -5.974824     -4.638039      8.799474
  H      -0.679557     -3.176690      0.539746
  H       1.105022     -1.572713      0.950426
  H       0.925547      0.044982      2.866597
  H      -1.096609      0.040690      4.275828
  H      -7.435926     -7.318605      4.041495
  H      -9.751522     -6.798576      4.659471
  H     -10.739959     -4.567594      4.111359
  H      -9.414337     -2.925322      2.833578
  H      -0.431681     -4.251161      5.594654
  H      -0.065295     -2.932402      7.628048
  H      -2.015463     -2.047000      8.925781
  H      -4.311924     -2.630339      8.219775
  N      -7.357667     -5.259200     -0.944733
  N      -7.008228     -6.163067     -0.418711
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836086990542
  N      -2.921929     -3.485616      1.936862
  C      -2.955127     -4.197604      0.659753
  C      -2.423957     -5.591882      0.935848
  N      -3.191358     -6.138377      2.092115
  C      -4.215360     -7.114310      1.650396
  C      -5.349009     -7.089217      2.648944
  N      -5.745133     -5.692771      2.751574
  Mo     -4.241481     -4.278238      3.226804
  N      -2.789902     -4.866385      4.503088
  C      -1.684428     -5.648473      3.961098
  C      -2.289916     -6.741078      3.105854
  H      -1.090468     -6.109019      4.765178
  H      -1.004515     -5.009538      3.367134
  H      -2.891223     -7.398739      3.748395
  H      -1.518699     -7.352075      2.608251
  H      -6.183210     -7.702924      2.274658
  H      -5.039030     -7.515276      3.622462
  H      -4.598801     -6.784591      0.676672
  H      -3.768492     -8.115839      1.535802
  H      -2.388271     -3.684384     -0.127366
  H      -4.002130     -4.239442      0.321562
  H      -1.361349     -5.532534      1.205594
  H      -2.522718     -6.262186      0.069531
  C      -1.962701     -2.521005      2.168375
  C      -0.802817     -2.463704      1.352436
  C       0.220082     -1.563419      1.589411
  C       0.121410     -0.662853      2.659747
  C      -1.007623     -0.670955      3.457808
  C      -2.080867     -1.571075      3.250467
  C      -3.270781     -1.532532      4.070770
  O      -4.145440     -2.509531      3.999084
  C      -3.665671     -0.493100      4.996577
  F      -4.895670     -0.781108      5.537876
  S      -2.956482      0.903958      5.491773
  C      -7.054513     -5.421586      3.065367
  C      -7.867123     -6.365072      3.738762
  C      -9.169379     -6.064920      4.099490
  C      -9.728752     -4.814490      3.788939
  C      -8.982220     -3.893301      3.076370
  C      -7.653355     -4.169372      2.683371
  C      -6.879555     -3.260676      1.860561
  O      -5.607028     -3.260843      1.892237
  C      -7.479799     -2.344286      0.873747
  F      -8.817017     -2.553295      0.677632
  S      -6.703548     -1.204472      0.007357
  C      -2.593979     -4.229362      5.722944
  C      -1.291714     -3.938993      6.184976
  C      -1.085031     -3.177098      7.327338
  C      -2.173605     -2.685851      8.057405
  C      -3.461254     -3.010288      7.659204
  C      -3.706820     -3.801173      6.518925
  C      -5.060708     -4.216829      6.172565
  O      -5.406346     -4.513089      4.968411
  C      -6.096925     -4.425602      7.178067
  F      -7.326617     -4.543674      6.592058
  S      -5.974955     -4.639669      8.799437
  H      -0.682406     -3.174520      0.537249
  H       1.103962     -1.572496      0.949365
  H       0.927909      0.040844      2.869380
  H      -1.093503      0.036473      4.279418
  H      -7.435551     -7.317617      4.043390
  H      -9.751759     -6.798064      4.660385
  H     -10.740971     -4.568108      4.109860
  H      -9.415745     -2.926311      2.831069
  H      -0.431226     -4.249330      5.594334
  H      -0.065241     -2.931018      7.628052
  H      -2.015617     -2.046919      8.926261
  H      -4.311834     -2.631248      8.220491
  N      -7.366840     -5.259551     -0.945141
  N      -6.998581     -6.159199     -0.424644
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836089634610
  N      -2.923038     -3.485306      1.936678
  C      -2.956843     -4.197072      0.659273
  C      -2.425308     -5.591105      0.935502
  N      -3.191595     -6.137883      2.092462
  C      -4.215283     -7.114477      1.651622
  C      -5.348750     -7.088859      2.650371
  N      -5.745362     -5.692392      2.751648
  Mo     -4.241914     -4.278160      3.227253
  N      -2.789142     -4.865271      4.502775
  C      -1.683440     -5.646619      3.960129
  C      -2.288849     -6.739775      3.105477
  H      -1.088674     -6.106965      4.763724
  H      -1.004485     -5.007083      3.365768
  H      -2.888952     -7.398124      3.748447
  H      -1.517395     -7.350082      2.607351
  H      -6.182855     -7.703321      2.277143
  H      -5.038223     -7.513701      3.624264
  H      -4.599118     -6.785801      0.677733
  H      -3.768141     -8.115989      1.537976
  H      -2.390039     -3.683995     -0.127941
  H      -4.004064     -4.238639      0.321871
  H      -1.362471     -5.531443      1.204240
  H      -2.524764     -6.262340      0.069972
  C      -1.963430     -2.521194      2.168297
  C      -0.803937     -2.463403      1.351743
  C       0.219924     -1.564559      1.589814
  C       0.122900     -0.666026      2.662056
  C      -1.005984     -0.674122      3.460327
  C      -2.080515     -1.572316      3.251423
  C      -3.270684     -1.532910      4.071419
  O      -4.146147     -2.509201      3.999557
  C      -3.665154     -0.492846      4.996586
  F      -4.894734     -0.780678      5.539088
  S      -2.956056      0.904968      5.489717
  C      -7.054930     -5.421523      3.065417
  C      -7.867012     -6.364908      3.739606
  C      -9.169576     -6.065329      4.099675
  C      -9.729665     -4.815596      3.787733
  C      -8.983499     -3.894407      3.074740
  C      -7.654309     -4.169870      2.682526
  C      -6.880165     -3.261004      1.860020
  O      -5.607710     -3.260661      1.893401
  C      -7.479530     -2.345484      0.872039
  F      -8.817315     -2.552031      0.677584
  S      -6.701824     -1.208991      0.002389
  C      -2.593361     -4.228646      5.722793
  C      -1.291276     -3.937993      6.184977
  C      -1.084784     -3.176341      7.327550
  C      -2.173485     -2.685623      8.057807
  C      -3.461022     -3.010443      7.659477
  C      -3.706374     -3.801111      6.518998
  C      -5.060148     -4.216934      6.172738
  O      -5.405599     -4.513566      4.968521
  C      -6.096573     -4.425637      7.178027
  F      -7.326216     -4.543146      6.591721
  S      -5.975061     -4.640398      8.799303
  H      -0.684654     -3.172937      0.535272
  H       1.103392     -1.573107      0.949189
  H       0.930532      0.035985      2.872949
  H      -1.090660      0.032008      4.283149
  H      -7.434678     -7.316808      4.045143
  H      -9.751695     -6.798323      4.661035
  H     -10.742194     -4.569649      4.108022
  H      -9.417610     -2.927914      2.828569
  H      -0.430567     -4.247815      5.594373
  H      -0.065055     -2.930009      7.628261
  H      -2.015709     -2.046776      8.926757
  H      -4.311642     -2.631803      8.220952
  N      -7.378348     -5.259292     -0.944729
  N      -6.989863     -6.154057     -0.430581
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836092637123
  N      -2.923765     -3.485269      1.936745
  C      -2.958238     -4.196365      0.658847
  C      -2.426317     -5.590294      0.934896
  N      -3.191536     -6.137359      2.092439
  C      -4.215005     -7.114478      1.652407
  C      -5.348349     -7.088350      2.651276
  N      -5.745394     -5.691835      2.751553
  Mo     -4.242336     -4.278145      3.227678
  N      -2.788201     -4.864000      4.502446
  C      -1.682406     -5.644618      3.959055
  C      -2.287709     -6.738324      3.104910
  H      -1.086661     -6.104816      4.762004
  H      -1.004467     -5.004516      3.364159
  H      -2.886642     -7.397312      3.748335
  H      -1.515901     -7.348011      2.606516
  H      -6.182412     -7.703409      2.278986
  H      -5.037262     -7.512232      3.625429
  H      -4.599021     -6.786933      0.678245
  H      -3.767812     -8.116112      1.539944
  H      -2.391541     -3.683168     -0.128314
  H      -4.005687     -4.238235      0.322520
  H      -1.363211     -5.530389      1.202482
  H      -2.526659     -6.262330      0.070082
  C      -1.963867     -2.521609      2.168625
  C      -0.804492     -2.463628      1.351884
  C       0.220231     -1.566116      1.591168
  C       0.124429     -0.669264      2.664976
  C      -1.004587     -0.677123      3.463050
  C      -2.080290     -1.573540      3.252478
  C      -3.270886     -1.533132      4.071868
  O      -4.146965     -2.508957      4.000034
  C      -3.665208     -0.492213      4.995957
  F      -4.894106     -0.780083      5.540096
  S      -2.957000      0.907307      5.485619
  C      -7.055189     -5.421408      3.065377
  C      -7.866567     -6.364771      3.740408
  C      -9.169432     -6.065907      4.100000
  C      -9.730344     -4.816897      3.786847
  C      -8.984668     -3.895579      3.073435
  C      -7.655198     -4.170298      2.681758
  C      -6.880775     -3.261124      1.859553
  O      -5.608385     -3.260392      1.894615
  C      -7.479129     -2.346603      0.870249
  F      -8.817703     -2.549743      0.678101
  S      -6.699532     -1.214548     -0.003760
  C      -2.592682     -4.227899      5.722662
  C      -1.290751     -3.937257      6.185198
  C      -1.084439     -3.175980      7.328046
  C      -2.173272     -2.685579      8.058396
  C      -3.460684     -3.010533      7.659791
  C      -3.705865     -3.800912      6.519031
  C      -5.059488     -4.216893      6.172874
  O      -5.404753     -4.514225      4.968665
  C      -6.096210     -4.425217      7.177952
  F      -7.325803     -4.542081      6.591357
  S      -5.975060     -4.640357      8.799126
  H      -0.685835     -3.172036      0.534337
  H       1.103522     -1.574422      0.950292
  H       0.933082      0.031176      2.877149
  H      -1.088492      0.027956      4.286832
  H      -7.433373     -7.316009      4.046762
  H      -9.751155     -6.798832      4.661858
  H     -10.743154     -4.571445      4.106642
  H      -9.419448     -2.929579      2.826621
  H      -0.429776     -4.246708      5.594776
  H      -0.064730     -2.929673      7.628843
  H      -2.015699     -2.046910      8.927506
  H      -4.311350     -2.632104      8.221324
  N      -7.397932     -5.261925     -0.945141
  N      -6.981167     -6.147255     -0.436715
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836096230775
  N      -2.924196     -3.485689      1.936910
  C      -2.959301     -4.196132      0.658626
  C      -2.426651     -5.589978      0.934400
  N      -3.190966     -6.137241      2.092265
  C      -4.214343     -7.114683      1.652896
  C      -5.347854     -7.087912      2.651535
  N      -5.745332     -5.691342      2.751015
  Mo     -4.242758     -4.278339      3.228191
  N      -2.787102     -4.862719      4.502238
  C      -1.681376     -5.642791      3.958205
  C      -2.286564     -6.737130      3.104637
  H      -1.084579     -6.102684      4.760535
  H      -1.004382     -5.002387      3.362536
  H      -2.884683     -7.396365      3.748597
  H      -1.514361     -7.346549      2.606466
  H      -6.181812     -7.703412      2.279756
  H      -5.036567     -7.511121      3.625934
  H      -4.598066     -6.788349      0.678255
  H      -3.767388     -8.116612      1.541923
  H      -2.393066     -3.682653     -0.128649
  H      -4.007064     -4.239244      0.323621
  H      -1.363322     -5.529667      1.201001
  H      -2.527647     -6.262447      0.070002
  C      -1.964021     -2.522484      2.169056
  C      -0.804457     -2.464904      1.352609
  C       0.221018     -1.568528      1.593022
  C       0.125919     -0.672677      2.667759
  C      -1.003555     -0.679822      3.465192
  C      -2.080291     -1.574696      3.253074
  C      -3.271472     -1.533088      4.071602
  O      -4.147697     -2.508950      4.000682
  C      -3.666234     -0.490602      4.993547
  F      -4.893683     -0.779185      5.540561
  S      -2.960598      0.912577      5.476666
  C      -7.055379     -5.421578      3.065018
  C      -7.865983     -6.365243      3.740479
  C      -9.169213     -6.067406      4.099705
  C      -9.731098     -4.819072      3.785872
  C      -8.985943     -3.897240      3.072497
  C      -7.656150     -4.170881      2.681248
  C      -6.881553     -3.260693      1.860093
  O      -5.609237     -3.259644      1.896577
  C      -7.479022     -2.345854      0.870677
  F      -8.818191     -2.545983      0.680013
  S      -6.697816     -1.216287     -0.005299
  C      -2.591951     -4.227143      5.722631
  C      -1.290109     -3.936737      6.185649
  C      -1.083979     -3.175811      7.328728
  C      -2.172964     -2.685377      8.058946
  C      -3.460251     -3.010204      7.659969
  C      -3.705316     -3.800461      6.519022
  C      -5.058737     -4.216800      6.173014
  O      -5.403753     -4.515337      4.968887
  C      -6.095838     -4.424452      7.177847
  F      -7.325296     -4.541164      6.590915
  S      -5.975096     -4.639066      8.799036
  H      -0.685913     -3.172585      0.534395
  H       1.104435     -1.577129      0.952321
  H       0.935450      0.026404      2.881055
  H      -1.087143      0.024701      4.289457
  H      -7.431973     -7.315956      4.047288
  H      -9.750428     -6.800592      4.661747
  H     -10.744237     -4.574348      4.105194
  H      -9.421489     -2.931661      2.825504
  H      -0.428876     -4.246020      5.595513
  H      -0.064257     -2.929778      7.629709
  H      -2.015583     -2.046878      8.928214
  H      -4.310990     -2.631731      8.221357
  N      -7.421851     -5.263530     -0.943572
  N      -6.970529     -6.137484     -0.445206
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836099793959
  N      -2.923993     -3.486195      1.937263
  C      -2.959258     -4.196185      0.658880
  C      -2.425641     -5.589991      0.934218
  N      -3.189947     -6.137398      2.091801
  C      -4.213447     -7.114629      1.652289
  C      -5.347397     -7.087612      2.650400
  N      -5.744939     -5.691002      2.750194
  Mo     -4.242881     -4.278611      3.228472
  N      -2.786384     -4.862075      4.502335
  C      -1.680908     -5.642138      3.958085
  C      -2.286028     -6.736760      3.104708
  H      -1.083617     -6.101814      4.760160
  H      -1.004165     -5.001911      3.361889
  H      -2.884341     -7.395621      3.748902
  H      -1.513598     -7.346501      2.607262
  H      -6.181307     -7.702895      2.278130
  H      -5.036516     -7.511188      3.624771
  H      -4.596459     -6.788685      0.677266
  H      -3.766959     -8.116886      1.542158
  H      -2.394001     -3.681970     -0.128619
  H      -4.007305     -4.241440      0.325070
  H      -1.362338     -5.529203      1.200825
  H      -2.526402     -6.262106      0.069534
  C      -1.963727     -2.523215      2.169711
  C      -0.803694     -2.466398      1.354020
  C       0.222004     -1.570358      1.595066
  C       0.126581     -0.674354      2.669645
  C      -1.003556     -0.680689      3.466160
  C      -2.080598     -1.575064      3.253226
  C      -3.272332     -1.532695      4.070866
  O      -4.148053     -2.509170      4.001307
  C      -3.668006     -0.488633      4.990537
  F      -4.893811     -0.778369      5.540470
  S      -2.965523      0.918543      5.466904
  C      -7.055095     -5.421685      3.064561
  C      -7.865182     -6.365739      3.739983
  C      -9.168495     -6.068512      4.099575
  C      -9.730833     -4.820316      3.786228
  C      -8.986056     -3.897965      3.073053
  C      -7.656270     -4.170977      2.681395
  C      -6.881774     -3.260045      1.860820
  O      -5.609470     -3.258850      1.897820
  C      -7.478850     -2.345117      0.871307
  F      -8.818629     -2.542631      0.682498
  S      -6.696472     -1.218214     -0.007171
  C      -2.591547     -4.226868      5.722818
  C      -1.289661     -3.937037      6.186341
  C      -1.083626     -3.176407      7.329577
  C      -2.172699     -2.685560      8.059492
  C      -3.459929     -3.009864      7.660141
  C      -3.705009     -3.800040      6.519061
  C      -5.058241     -4.216709      6.173098
  O      -5.403083     -4.516390      4.969142
  C      -6.095658     -4.423636      7.177817
  F      -7.324931     -4.540785      6.590696
  S      -5.975060     -4.636933      8.799124
  H      -0.684576     -3.174056      0.535845
  H       1.105861     -1.579638      0.954983
  H       0.936357      0.024293      2.883449
  H      -1.087619      0.024058      4.290182
  H      -7.430891     -7.316430      4.046472
  H      -9.749302     -6.802088      4.661530
  H     -10.743995     -4.575953      4.105740
  H      -9.421984     -2.932441      2.826645
  H      -0.428325     -4.246506      5.596465
  H      -0.063855     -2.930941      7.630859
  H      -2.015371     -2.047271      8.928928
  H      -4.310738     -2.631088      8.221228
  N      -7.448793     -5.267808     -0.942348
  N      -6.962364     -6.127463     -0.452088
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836104740528
  N      -2.923757     -3.487145      1.937315
  C      -2.958363     -4.197732      0.659484
  C      -2.422991     -5.591156      0.934977
  N      -3.188320     -6.138633      2.091459
  C      -4.212144     -7.115015      1.650933
  C      -5.347081     -7.087820      2.647879
  N      -5.744483     -5.691195      2.748592
  Mo     -4.242888     -4.279305      3.228652
  N      -2.786080     -4.862440      4.502708
  C      -1.680991     -5.643203      3.958993
  C      -2.286106     -6.737925      3.105706
  H      -1.083933     -6.102576      4.761408
  H      -1.003683     -5.003791      3.362506
  H      -2.885806     -7.395567      3.749882
  H      -1.513625     -7.348768      2.609691
  H      -6.180836     -7.702432      2.274045
  H      -5.037533     -7.512506      3.622184
  H      -4.593723     -6.788726      0.675479
  H      -3.766452     -8.117686      1.541167
  H      -2.394889     -3.682681     -0.128780
  H      -4.006601     -4.246813      0.326668
  H      -1.360100     -5.529381      1.203008
  H      -2.521999     -6.262341      0.069383
  C      -1.963381     -2.524287      2.169852
  C      -0.802523     -2.468899      1.355432
  C       0.223107     -1.572700      1.596723
  C       0.126589     -0.675488      2.670150
  C      -1.004548     -0.680499      3.465303
  C      -2.081522     -1.574890      3.251995
  C      -3.273913     -1.531848      4.068601
  O      -4.147916     -2.510023      4.002062
  C      -3.671645     -0.485097      4.984313
  F      -4.894483     -0.777381      5.539174
  S      -2.974850      0.928711      5.449560
  C      -7.054650     -5.422389      3.063658
  C      -7.864427     -6.367387      3.738008
  C      -9.167711     -6.070860      4.098516
  C      -9.730312     -4.822310      3.787225
  C      -8.985779     -3.898888      3.075141
  C      -7.656115     -4.171169      2.682540
  C      -6.882080     -3.258474      1.863608
  O      -5.609788     -3.257255      1.899766
  C      -7.479763     -2.340677      0.876908
  F      -8.819274     -2.538862      0.687031
  S      -6.698120     -1.209957      0.002892
  C      -2.591440     -4.227106      5.723032
  C      -1.289402     -3.937941      6.186947
  C      -1.083385     -3.177076      7.329973
  C      -2.172491     -2.685121      8.059146
  C      -3.459749     -3.008702      7.659540
  C      -3.704959     -3.799453      6.518825
  C      -5.058071     -4.216635      6.173015
  O      -5.402741     -4.517806      4.969341
  C      -6.095745     -4.422630      7.177708
  F      -7.324735     -4.541161      6.590443
  S      -5.975417     -4.633233      8.799399
  H      -0.682398     -3.177345      0.538068
  H       1.107771     -1.583215      0.957778
  H       0.936298      0.023198      2.884100
  H      -1.089594      0.025249      4.288353
  H      -7.430312     -7.318620      4.043054
  H      -9.748132     -6.805399      4.659612
  H     -10.743390     -4.578422      4.107356
  H      -9.421910     -2.933035      2.830409
  H      -0.428128     -4.248132      5.597385
  H      -0.063551     -2.932304      7.631615
  H      -2.015098     -2.046680      8.928476
  H      -4.310630     -2.629180      8.220032
  N      -7.465722     -5.263793     -0.934714
  N      -6.952292     -6.116819     -0.461523
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836107444330
  N      -2.923573     -3.487218      1.937731
  C      -2.957953     -4.198439      0.660530
  C      -2.421156     -5.591563      0.935673
  N      -3.187142     -6.139373      2.091510
  C      -4.211163     -7.115210      1.650298
  C      -5.346718     -7.087968      2.646599
  N      -5.743905     -5.691323      2.747906
  Mo     -4.242703     -4.279458      3.228872
  N      -2.786220     -4.862970      4.503391
  C      -1.681123     -5.643962      3.959959
  C      -2.286019     -6.738729      3.106620
  H      -1.084297     -6.102989      4.762742
  H      -1.003509     -5.004861      3.363478
  H      -2.886814     -7.395545      3.750625
  H      -1.513551     -7.350242      2.611436
  H      -6.180403     -7.702000      2.271545
  H      -5.038313     -7.513453      3.620902
  H      -4.592173     -6.788370      0.674842
  H      -3.765764     -8.117986      1.540309
  H      -2.396594     -3.682343     -0.128605
  H      -4.006749     -4.249607      0.329124
  H      -1.358576     -5.529151      1.204810
  H      -2.518765     -6.261603      0.069047
  C      -1.963105     -2.524429      2.170134
  C      -0.802166     -2.469508      1.355884
  C       0.223302     -1.572961      1.596864
  C       0.126327     -0.675096      2.669667
  C      -1.004980     -0.679714      3.464624
  C      -2.081691     -1.574466      3.251690
  C      -3.274170     -1.531492      4.068084
  O      -4.147311     -2.510431      4.002886
  C      -3.672651     -0.483751      4.982458
  F      -4.894406     -0.776977      5.539033
  S      -2.977664      0.932144      5.444057
  C      -7.053999     -5.422453      3.063289
  C      -7.863827     -6.367649      3.737223
  C      -9.166880     -6.070941      4.098560
  C      -9.729138     -4.821935      3.788513
  C      -8.984620     -3.898367      3.076571
  C      -7.655282     -4.170892      2.683047
  C      -6.881473     -3.258231      1.863924
  O      -5.609126     -3.256651      1.899964
  C      -7.479401     -2.341062      0.876732
  F      -8.819353     -2.537998      0.688766
  S      -6.697452     -1.212678     -0.000018
  C      -2.591589     -4.227526      5.723601
  C      -1.289460     -3.938638      6.187705
  C      -1.083524     -3.177754      7.330697
  C      -2.172657     -2.685479      8.059595
  C      -3.459936     -3.008675      7.659872
  C      -3.705138     -3.799475      6.519187
  C      -5.058175     -4.216823      6.173269
  O      -5.402880     -4.518235      4.969750
  C      -6.095885     -4.422669      7.178091
  F      -7.324710     -4.542063      6.590880
  S      -5.975486     -4.632020      8.799960
  H      -0.681986     -3.178422      0.538930
  H       1.108161     -1.583854      0.958200
  H       0.935816      0.023948      2.883291
  H      -1.090340      0.026600      4.287159
  H      -7.430178     -7.319353      4.041472
  H      -9.747228     -6.805743      4.659383
  H     -10.741931     -4.577800      4.109355
  H      -9.420540     -2.932207      2.832693
  H      -0.428312     -4.249076      5.598110
  H      -0.063709     -2.933241      7.632620
  H      -2.015217     -2.047105      8.928973
  H      -4.310904     -2.628963      8.220120
  N      -7.494989     -5.269049     -0.931679
  N      -6.937664     -6.103307     -0.473364
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836111188426
  N      -2.923526     -3.487175      1.937317
  C      -2.956408     -4.200228      0.661121
  C      -2.418441     -5.592588      0.937489
  N      -3.186498     -6.140500      2.091833
  C      -4.210709     -7.115163      1.648601
  C      -5.346959     -7.088674      2.644113
  N      -5.743503     -5.692079      2.747035
  Mo     -4.242296     -4.279779      3.228383
  N      -2.787439     -4.865102      4.503901
  C      -1.682366     -5.647379      3.962028
  C      -2.287348     -6.741328      3.107918
  H      -1.087428     -6.106803      4.766005
  H      -1.002882     -5.009152      3.366766
  H      -2.890141     -7.397164      3.751020
  H      -1.515252     -7.353829      2.613425
  H      -6.180632     -7.701709      2.267306
  H      -5.039888     -7.515710      3.618143
  H      -4.590986     -6.786383      0.673480
  H      -3.765523     -8.117830      1.536920
  H      -2.396498     -3.683902     -0.128931
  H      -4.004967     -4.253683      0.329426
  H      -1.356604     -5.529326      1.209313
  H      -2.513300     -6.262151      0.070164
  C      -1.963140     -2.524109      2.169400
  C      -0.802008     -2.469432      1.355408
  C       0.222893     -1.572033      1.595725
  C       0.125020     -0.673101      2.667510
  C      -1.006442     -0.677609      3.462294
  C      -2.082441     -1.573266      3.250121
  C      -3.274913     -1.530901      4.066565
  O      -4.146464     -2.511152      4.002846
  C      -3.674672     -0.482369      4.979623
  F      -4.895383     -0.777103      5.537611
  S      -2.981648      0.935301      5.438410
  C      -7.053309     -5.422826      3.063055
  C      -7.863623     -6.368455      3.735834
  C      -9.166060     -6.071012      4.098797
  C      -9.727361     -4.820861      3.791484
  C      -8.982658     -3.897038      3.080135
  C      -7.653975     -4.170346      2.684870
  C      -6.880866     -3.257581      1.865423
  O      -5.608458     -3.256186      1.899071
  C      -7.480483     -2.339096      0.880202
  F      -8.819940     -2.538793      0.691392
  S      -6.700764     -1.206759      0.006832
  C      -2.592506     -4.228680      5.723684
  C      -1.290281     -3.939780      6.187498
  C      -1.084209     -3.178050      7.329935
  C      -2.173212     -2.685034      8.058395
  C      -3.460641     -3.008152      7.658950
  C      -3.705931     -3.799694      6.518883
  C      -5.059133     -4.216953      6.172962
  O      -5.403997     -4.518000      4.969563
  C      -6.096539     -4.422921      7.178111
  F      -7.325368     -4.543233      6.591192
  S      -5.975934     -4.631440      8.800181
  H      -0.681664     -3.179267      0.539296
  H       1.107988     -1.583048      0.957395
  H       0.933957      0.026750      2.880595
  H      -1.092300      0.029509      4.284085
  H      -7.430908     -7.321198      4.038168
  H      -9.746603     -6.806268      4.658821
  H     -10.739545     -4.576197      4.113826
  H      -9.417851     -2.930084      2.837995
  H      -0.429418     -4.251020      5.597915
  H      -0.064412     -2.933496      7.631891
  H      -2.015555     -2.046128      8.927350
  H      -4.311595     -2.628010      8.218932
  N      -7.485896     -5.260809     -0.924515
  N      -6.932869     -6.103258     -0.477320
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836113900281
  N      -2.923957     -3.487186      1.936995
  C      -2.956360     -4.201427      0.661294
  C      -2.417665     -5.593120      0.938755
  N      -3.186248     -6.141234      2.092696
  C      -4.210321     -7.115666      1.648867
  C      -5.346906     -7.089247      2.644038
  N      -5.743422     -5.692644      2.746775
  Mo     -4.242115     -4.279960      3.228304
  N      -2.787947     -4.866133      4.504194
  C      -1.682577     -5.648751      3.963189
  C      -2.287423     -6.742494      3.108858
  H      -1.088516     -6.108339      4.767732
  H      -1.002435     -5.010605      3.368643
  H      -2.890578     -7.398353      3.751570
  H      -1.515345     -7.355022      2.614362
  H      -6.180459     -7.702334      2.267017
  H      -5.040270     -7.516170      3.618262
  H      -4.590559     -6.786450      0.673891
  H      -3.764976     -8.118206      1.536762
  H      -2.397135     -3.685421     -0.129443
  H      -4.005057     -4.255527      0.329734
  H      -1.356072     -5.529270      1.211363
  H      -2.511514     -6.263233      0.071703
  C      -1.963523     -2.524036      2.168585
  C      -0.802713     -2.469088      1.354049
  C       0.222264     -1.571773      1.594110
  C       0.124900     -0.673177      2.666229
  C      -1.006284     -0.677787      3.461432
  C      -2.082442     -1.573190      3.249393
  C      -3.274805     -1.530941      4.066102
  O      -4.145912     -2.511518      4.002784
  C      -3.674856     -0.482167      4.978761
  F      -4.895287     -0.777385      5.537222
  S      -2.982224      0.935814      5.436851
  C      -7.053174     -5.423294      3.062938
  C      -7.863703     -6.369153      3.735232
  C      -9.165971     -6.071521      4.098569
  C      -9.727006     -4.821024      3.792108
  C      -8.982230     -3.897038      3.081101
  C      -7.653691     -4.170546      2.685462
  C      -6.880750     -3.257570      1.866168
  O      -5.608347     -3.256285      1.898953
  C      -7.480991     -2.338007      0.882227
  F      -8.820339     -2.538244      0.693374
  S      -6.702109     -1.203600      0.010873
  C      -2.592925     -4.228984      5.723700
  C      -1.290828     -3.939502      6.187271
  C      -1.084861     -3.177082      7.329321
  C      -2.173905     -2.684004      8.057594
  C      -3.461325     -3.007685      7.658343
  C      -3.706400     -3.799845      6.518727
  C      -5.059681     -4.217142      6.172845
  O      -5.404539     -4.517803      4.969398
  C      -6.096876     -4.423532      7.178087
  F      -7.325791     -4.543807      6.591233
  S      -5.976344     -4.632660      8.800140
  H      -0.683139     -3.178945      0.537861
  H       1.107076     -1.582385      0.955380
  H       0.934025      0.026448      2.879320
  H      -1.091574      0.029190      4.283381
  H      -7.431174     -7.322169      4.036947
  H      -9.746637     -6.806958      4.658229
  H     -10.739047     -4.576305      4.114858
  H      -9.417195     -2.929843      2.839462
  H      -0.429953     -4.250917      5.597785
  H      -0.065158     -2.932011      7.631170
  H      -2.016328     -2.044574      8.926178
  H      -4.312322     -2.627549      8.218252
  N      -7.485914     -5.253831     -0.919222
  N      -6.922849     -6.096610     -0.485176
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836118549049
  N      -2.924662     -3.487605      1.936293
  C      -2.956085     -4.203936      0.661391
  C      -2.415670     -5.594050      0.941473
  N      -3.185699     -6.142409      2.094534
  C      -4.209363     -7.116331      1.648966
  C      -5.346817     -7.090339      2.643221
  N      -5.743248     -5.693715      2.746019
  Mo     -4.241626     -4.280509      3.227867
  N      -2.788922     -4.868143      4.504696
  C      -1.683049     -5.651864      3.965977
  C      -2.287671     -6.744870      3.110730
  H      -1.091327     -6.112227      4.771828
  H      -1.000949     -5.014143      3.373286
  H      -2.891449     -7.401087      3.752453
  H      -1.515583     -7.357313      2.616123
  H      -6.180132     -7.703457      2.265718
  H      -5.040952     -7.517266      3.617714
  H      -4.589213     -6.786290      0.674141
  H      -3.763726     -8.118663      1.536279
  H      -2.398126     -3.688437     -0.130529
  H      -4.004963     -4.260114      0.330169
  H      -1.354649     -5.528583      1.215837
  H      -2.507288     -6.266220      0.075695
  C      -1.964344     -2.524034      2.166829
  C      -0.804162     -2.468405      1.351285
  C       0.220903     -1.571215      1.590982
  C       0.124521     -0.673367      2.663859
  C      -1.006202     -0.678272      3.459754
  C      -2.082611     -1.573215      3.247748
  C      -3.274844     -1.530995      4.064788
  O      -4.145136     -2.512213      4.002043
  C      -3.675404     -0.481652      4.976405
  F      -4.895253     -0.777624      5.536045
  S      -2.983671      0.937298      5.432309
  C      -7.052813     -5.424227      3.062798
  C      -7.863562     -6.370673      3.734240
  C      -9.165234     -6.072588      4.099116
  C      -9.725673     -4.821198      3.795127
  C      -8.981022     -3.896735      3.084701
  C      -7.653066     -4.170711      2.687372
  C      -6.880659     -3.257468      1.867810
  O      -5.608255     -3.257048      1.898282
  C      -7.482004     -2.336295      0.885931
  F      -8.821951     -2.534463      0.699884
  S      -6.703597     -1.201932      0.014037
  C      -2.594023     -4.229445      5.723676
  C      -1.292269     -3.938854      6.186941
  C      -1.086621     -3.175178      7.328312
  C      -2.175846     -2.682130      8.056235
  C      -3.463165     -3.007025      7.657202
  C      -3.707656     -3.800175      6.518271
  C      -5.061008     -4.217550      6.172320
  O      -5.405667     -4.517500      4.968718
  C      -6.097852     -4.424620      7.177641
  F      -7.326979     -4.544723      6.590874
  S      -5.977333     -4.635004      8.799578
  H      -0.685800     -3.178106      0.534812
  H       1.105129     -1.580914      0.951424
  H       0.934026      0.025768      2.877085
  H      -1.090589      0.028384      4.282051
  H      -7.431224     -7.324309      4.034216
  H      -9.745999     -6.808448      4.658131
  H     -10.737174     -4.576298      4.119425
  H      -9.415476     -2.928885      2.844760
  H      -0.431204     -4.250651      5.597896
  H      -0.067111     -2.929111      7.630005
  H      -2.018558     -2.041785      8.924190
  H      -4.314287     -2.626995      8.216966
  N      -7.490395     -5.239971     -0.908042
  N      -6.898425     -6.078702     -0.504751
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836122322790
  N      -2.925226     -3.489148      1.935535
  C      -2.955980     -4.207405      0.661464
  C      -2.413527     -5.595931      0.944146
  N      -3.184815     -6.144206      2.096664
  C      -4.208049     -7.117875      1.649747
  C      -5.346662     -7.091786      2.642745
  N      -5.743336     -5.695116      2.744984
  Mo     -4.241116     -4.281527      3.227501
  N      -2.789707     -4.869977      4.505359
  C      -1.683378     -5.654853      3.969124
  C      -2.287584     -6.747379      3.113077
  H      -1.093892     -6.115713      4.776349
  H      -0.999350     -5.017784      3.377968
  H      -2.891792     -7.403953      3.754020
  H      -1.515314     -7.359729      2.618614
  H      -6.179533     -7.705269      2.264836
  H      -5.041695     -7.518280      3.617743
  H      -4.587052     -6.787880      0.674627
  H      -3.762291     -8.120207      1.537573
  H      -2.399309     -3.692225     -0.131525
  H      -4.005123     -4.266183      0.330884
  H      -1.353038     -5.528521      1.220044
  H      -2.502968     -6.270377      0.079851
  C      -1.965166     -2.524879      2.164580
  C      -0.805642     -2.468957      1.348061
  C       0.219421     -1.571620      1.586942
  C       0.123916     -0.673925      2.660055
  C      -1.006341     -0.678846      3.456655
  C      -2.082887     -1.573633      3.245140
  C      -3.274916     -1.531193      4.062584
  O      -4.144259     -2.513254      4.000828
  C      -3.676156     -0.481007      4.972691
  F      -4.895139     -0.777853      5.533974
  S      -2.986111      0.939839      5.424960
  C      -7.052750     -5.425826      3.062358
  C      -7.863607     -6.373297      3.732486
  C      -9.164782     -6.075278      4.098962
  C      -9.724921     -4.823003      3.798041
  C      -8.980473     -3.897490      3.088871
  C      -7.652991     -4.171366      2.689730
  C      -6.881169     -3.256859      1.871041
  O      -5.608783     -3.258041      1.898628
  C      -7.483415     -2.331682      0.893263
  F      -8.823891     -2.527128      0.709237
  S      -6.705160     -1.195074      0.024171
  C      -2.595287     -4.229639      5.723802
  C      -1.293901     -3.937942      6.186966
  C      -1.088763     -3.172937      7.327619
  C      -2.178319     -2.679774      8.054924
  C      -3.465443     -3.005849      7.655906
  C      -3.709213     -3.800125      6.517683
  C      -5.062531     -4.217818      6.171572
  O      -5.406709     -4.517594      4.967787
  C      -6.099217     -4.425166      7.176759
  F      -7.328432     -4.545699      6.589889
  S      -5.978903     -4.635666      8.798718
  H      -0.688088     -3.178783      0.531587
  H       1.103086     -1.580815      0.946596
  H       0.933697      0.024983      2.872941
  H      -1.090032      0.027875      4.278943
  H      -7.431308     -7.327581      4.030387
  H      -9.745474     -6.811949      4.656999
  H     -10.735987     -4.578344      4.123872
  H      -9.414586     -2.928919      2.851326
  H      -0.432486     -4.250169      5.598632
  H      -0.069454     -2.925972      7.629256
  H      -2.021499     -2.038490      8.922263
  H      -4.316777     -2.625761      8.215298
  N      -7.494631     -5.220932     -0.892970
  N      -6.864500     -6.052067     -0.532179
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836128452569
  N      -2.925175     -3.491405      1.934519
  C      -2.955496     -4.210940      0.660810
  C      -2.412271     -5.598292      0.946192
  N      -3.184681     -6.145657      2.098667
  C      -4.207388     -7.119507      1.650793
  C      -5.346857     -7.093375      2.642761
  N      -5.743866     -5.696721      2.744384
  Mo     -4.240470     -4.282616      3.226666
  N      -2.790671     -4.871514      4.505779
  C      -1.684052     -5.657719      3.972164
  C      -2.287943     -6.749579      3.115054
  H      -1.096972     -6.119306      4.780749
  H      -0.997834     -5.021530      3.382555
  H      -2.892178     -7.406842      3.755276
  H      -1.515526     -7.361609      2.620421
  H      -6.179267     -7.707467      2.264891
  H      -5.042210     -7.519201      3.618190
  H      -4.585542     -6.790134      0.675167
  H      -3.761430     -8.121866      1.539670
  H      -2.398420     -3.696495     -0.132310
  H      -4.004291     -4.270760      0.329634
  H      -1.352168     -5.529396      1.223193
  H      -2.500368     -6.275664      0.084024
  C      -1.965801     -2.525904      2.161967
  C      -0.806908     -2.469594      1.344603
  C       0.217662     -1.571363      1.582080
  C       0.122450     -0.673002      2.654687
  C      -1.007205     -0.678336      3.452155
  C      -2.083216     -1.574052      3.241980
  C      -3.274738     -1.531688      4.060265
  O      -4.143719     -2.514123      3.998253
  C      -3.675856     -0.482002      4.970676
  F      -4.895441     -0.778486      5.531071
  S      -2.985133      0.938046      5.424381
  C      -7.053007     -5.427583      3.062227
  C      -7.864105     -6.376135      3.730870
  C      -9.164666     -6.078118      4.099148
  C      -9.724373     -4.824791      3.801709
  C      -8.980085     -3.898144      3.093995
  C      -7.653160     -4.171940      2.692679
  C      -6.882040     -3.256299      1.874608
  O      -5.609643     -3.260272      1.898177
  C      -7.485045     -2.326326      0.901655
  F      -8.826291     -2.517754      0.720256
  S      -6.706413     -1.187886      0.035262
  C      -2.597006     -4.229601      5.723784
  C      -1.295979     -3.936907      6.186911
  C      -1.091371     -3.170709      7.326919
  C      -2.181304     -2.677475      8.053614
  C      -3.468192     -3.004666      7.654513
  C      -3.711234     -3.799887      6.516837
  C      -5.064487     -4.217779      6.170325
  O      -5.407966     -4.517219      4.966220
  C      -6.101134     -4.425348      7.175179
  F      -7.330422     -4.546295      6.588112
  S      -5.980946     -4.635916      8.797118
  H      -0.689245     -3.179822      0.528493
  H       1.100762     -1.580152      0.940946
  H       0.931918      0.026590      2.866477
  H      -1.090828      0.028820      4.274089
  H      -7.431833     -7.331119      4.026490
  H      -9.745332     -6.815599      4.656159
  H     -10.734924     -4.580342      4.129288
  H      -9.413727     -2.928709      2.859292
  H      -0.434107     -4.249543      5.599435
  H      -0.072229     -2.922945      7.628458
  H      -2.025016     -2.035350      8.920411
  H      -4.319722     -2.624418      8.213495
  N      -7.480687     -5.198315     -0.880926
  N      -6.833889     -6.030778     -0.554429
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836137976005
  N      -2.924331     -3.494777      1.933484
  C      -2.954421     -4.215285      0.660323
  C      -2.410574     -5.601994      0.948071
  N      -3.184090     -6.147671      2.100748
  C      -4.206440     -7.121977      1.652407
  C      -5.347073     -7.095314      2.642921
  N      -5.744617     -5.698705      2.743841
  Mo     -4.239605     -4.284333      3.225929
  N      -2.791279     -4.872436      4.506640
  C      -1.684703     -5.660136      3.975558
  C      -2.288289     -6.751762      3.117829
  H      -1.099576     -6.121774      4.785537
  H      -0.996425     -5.025477      3.386588
  H      -2.892925     -7.408978      3.757759
  H      -1.515745     -7.364013      2.623704
  H      -6.178809     -7.709984      2.264495
  H      -5.043270     -7.520630      3.618860
  H      -4.582982     -6.794023      0.675750
  H      -3.760513     -8.124602      1.543482
  H      -2.396507     -3.701493     -0.132586
  H      -4.002996     -4.275941      0.328242
  H      -1.350905     -5.531398      1.226367
  H      -2.497061     -6.281462      0.087433
  C      -1.965953     -2.527658      2.159180
  C      -0.807539     -2.471499      1.341324
  C       0.215937     -1.571311      1.576506
  C       0.119959     -0.670750      2.647155
  C      -1.009100     -0.676409      3.445461
  C      -2.083728     -1.574496      3.237920
  C      -3.274458     -1.532519      4.057312
  O      -4.143166     -2.515331      3.995200
  C      -3.675278     -0.483749      4.968725
  F      -4.895921     -0.779366      5.527209
  S      -2.983355      0.934837      5.425616
  C      -7.053418     -5.429835      3.061981
  C      -7.864918     -6.379901      3.728290
  C      -9.164854     -6.082198      4.098686
  C      -9.724021     -4.827505      3.805895
  C      -8.979797     -3.899238      3.100387
  C      -7.653473     -4.172607      2.696390
  C      -6.883145     -3.255570      1.879370
  O      -5.610709     -3.263398      1.898140
  C      -7.486446     -2.319744      0.911940
  F      -8.828905     -2.504740      0.734495
  S      -6.706171     -1.181100      0.047272
  C      -2.598789     -4.229233      5.724292
  C      -1.297963     -3.936048      6.187780
  C      -1.094054     -3.168888      7.327252
  C      -2.184506     -2.675205      8.052930
  C      -3.471096     -3.002893      7.653412
  C      -3.713437     -3.799014      6.516174
  C      -5.066399     -4.217531      6.168989
  O      -5.408837     -4.517502      4.964640
  C      -6.103426     -4.424831      7.173243
  F      -7.332394     -4.547372      6.585686
  S      -5.983571     -4.633521      8.795415
  H      -0.688497     -3.182771      0.526317
  H       1.098704     -1.580449      0.934917
  H       0.928303      0.030826      2.856659
  H      -1.093659      0.032140      4.266136
  H      -7.433013     -7.335927      4.020995
  H      -9.745432     -6.820933      4.654137
  H     -10.734004     -4.583371      4.135441
  H      -9.412939     -2.928693      2.869628
  H      -0.435615     -4.249172      5.601269
  H      -0.075037     -2.920847      7.628983
  H      -2.028844     -2.032451      8.919371
  H      -4.322950     -2.622185      8.211623
  N      -7.474984     -5.175309     -0.870644
  N      -6.796675     -5.997397     -0.583317
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836149955718
  N      -2.921131     -3.500909      1.931683
  C      -2.951155     -4.221317      0.658570
  C      -2.409668     -5.608852      0.948997
  N      -3.184268     -6.150104      2.102965
  C      -4.206432     -7.125894      1.655459
  C      -5.347920     -7.098271      2.644557
  N      -5.746237     -5.701890      2.745016
  Mo     -4.237928     -4.287346      3.224460
  N      -2.791763     -4.872197      4.507952
  C      -1.685955     -5.661947      3.979410
  C      -2.289548     -6.753689      3.121463
  H      -1.102387     -6.123069      4.790801
  H      -0.995438     -5.030088      3.389788
  H      -2.894642     -7.410190      3.761777
  H      -1.517029     -7.366640      2.628297
  H      -6.178758     -7.713704      2.265394
  H      -5.044703     -7.523137      3.620876
  H      -4.580460     -6.801077      0.676852
  H      -3.760643     -8.129061      1.550824
  H      -2.388205     -3.709544     -0.132015
  H      -3.998139     -4.279022      0.322518
  H      -1.350344     -5.537134      1.228544
  H      -2.495313     -6.290313      0.090041
  C      -1.965184     -2.530420      2.155293
  C      -0.807067     -2.474475      1.337500
  C       0.213271     -1.569165      1.567876
  C       0.113717     -0.662808      2.633128
  C      -1.014282     -0.669917      3.432813
  C      -2.084766     -1.574785      3.231645
  C      -3.273579     -1.534837      4.053672
  O      -4.143287     -2.517066      3.988797
  C      -3.672385     -0.490952      4.971522
  F      -4.898323     -0.782362      5.520121
  S      -2.972914      0.918065      5.447554
  C      -7.054379     -5.433033      3.062629
  C      -7.867058     -6.385217      3.724916
  C      -9.166027     -6.087807      4.098324
  C      -9.723809     -4.830729      3.812795
  C      -8.979240     -3.900222      3.110878
  C      -7.653866     -4.173080      2.702615
  C      -6.884703     -3.255415      1.885771
  O      -5.612135     -3.271146      1.896010
  C      -7.487490     -2.311852      0.925280
  F      -8.832689     -2.482923      0.757274
  S      -6.702583     -1.178695      0.057402
  C      -2.601382     -4.228147      5.725444
  C      -1.300549     -3.935455      6.190071
  C      -1.097639     -3.167693      7.329193
  C      -2.188868     -2.672877      8.053114
  C      -3.475014     -3.000004      7.652477
  C      -3.716663     -3.796757      6.515339
  C      -5.069010     -4.216069      6.166645
  O      -5.409696     -4.517581      4.962077
  C      -6.107300     -4.422100      7.169715
  F      -7.335351     -4.547319      6.581143
  S      -5.987979     -4.626453      8.792373
  H      -0.683162     -3.188227      0.525383
  H       1.095938     -1.579512      0.926171
  H       0.918423      0.044577      2.837125
  H      -1.102387      0.041938      4.250384
  H      -7.436295     -7.343033      4.013353
  H      -9.746736     -6.828342      4.651243
  H     -10.732867     -4.586638      4.145160
  H      -9.411385     -2.927856      2.886489
  H      -0.437536     -4.249340      5.604994
  H      -0.078643     -2.920326      7.631541
  H      -2.034072     -2.029757      8.919441
  H      -4.327375     -2.618142      8.209210
  N      -7.456243     -5.143930     -0.869904
  N      -6.752078     -5.953552     -0.617059
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836156757837
  N      -2.920621     -3.504270      1.931021
  C      -2.950377     -4.225999      0.659347
  C      -2.407362     -5.613186      0.951258
  N      -3.182914     -6.153132      2.105322
  C      -4.205182     -7.129195      1.657796
  C      -5.348041     -7.100566      2.645340
  N      -5.746741     -5.704143      2.745273
  Mo     -4.237068     -4.290099      3.224627
  N      -2.791643     -4.872745      4.509659
  C      -1.686008     -5.663525      3.982513
  C      -2.289377     -6.756066      3.125338
  H      -1.102917     -6.123514      4.794888
  H      -0.994739     -5.033155      3.392140
  H      -2.895621     -7.411236      3.765937
  H      -1.516802     -7.370011      2.633557
  H      -6.178199     -7.716106      2.264663
  H      -5.046686     -7.525456      3.622219
  H      -4.577393     -6.805573      0.678168
  H      -3.759555     -8.132655      1.555286
  H      -2.388114     -3.714328     -0.131800
  H      -3.998587     -4.284889      0.323658
  H      -1.348648     -5.539326      1.232628
  H      -2.490434     -6.294614      0.092090
  C      -1.965675     -2.532237      2.152912
  C      -0.808249     -2.476237      1.334297
  C       0.210740     -1.568532      1.561963
  C       0.110108     -0.659753      2.624948
  C      -1.016991     -0.667469      3.425854
  C      -2.085645     -1.575322      3.228038
  C      -3.273307     -1.536542      4.051394
  O      -4.142657     -2.519137      3.986919
  C      -3.671749     -0.493703      4.970794
  F      -4.899001     -0.783913      5.516780
  S      -2.970191      0.912663      5.451978
  C      -7.054710     -5.435180      3.062433
  C      -7.868137     -6.388620      3.722202
  C      -9.166627     -6.091396      4.097290
  C      -9.723470     -4.832901      3.816046
  C      -8.978599     -3.901128      3.116260
  C      -7.653779     -4.173746      2.705731
  C      -6.885001     -3.255821      1.889304
  O      -5.612431     -3.274978      1.895988
  C      -7.487386     -2.308745      0.931802
  F      -8.834365     -2.470791      0.771009
  S      -6.699561     -1.181099      0.059295
  C      -2.602202     -4.227936      5.726767
  C      -1.301423     -3.935223      6.192057
  C      -1.099257     -3.166623      7.330695
  C      -2.190980     -2.670882      8.053247
  C      -3.476876     -2.997883      7.652060
  C      -3.717990     -3.795685      6.515482
  C      -5.069927     -4.215918      6.166221
  O      -5.409800     -4.519160      4.961866
  C      -6.109010     -4.421116      7.168827
  F      -7.336359     -4.548007      6.579630
  S      -5.990488     -4.622516      8.791946
  H      -0.682971     -3.191132      0.523411
  H       1.092985     -1.579265      0.919691
  H       0.913288      0.050183      2.826155
  H      -1.106175      0.045911      4.242030
  H      -7.438408     -7.347641      4.008132
  H      -9.747444     -6.833146      4.648460
  H     -10.731985     -4.588699      4.149954
  H      -9.410189     -2.927737      2.895454
  H      -0.438176     -4.249642      5.607642
  H      -0.080381     -2.919368      7.633546
  H      -2.036721     -2.027071      8.919172
  H      -4.329676     -2.615347      8.207669
  N      -7.476861     -5.130453     -0.858568
  N      -6.703972     -5.894095     -0.656543
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836171200147
  N      -2.922378     -3.500447      1.931653
  C      -2.951680     -4.222186      0.659875
  C      -2.408907     -5.609666      0.949720
  N      -3.183639     -6.151676      2.103201
  C      -4.206494     -7.126828      1.655913
  C      -5.348205     -7.098599      2.644988
  N      -5.746076     -5.702092      2.745885
  Mo     -4.238309     -4.288772      3.225563
  N      -2.790867     -4.872141      4.508586
  C      -1.685224     -5.661411      3.978476
  C      -2.289259     -6.754477      3.122677
  H      -1.099774     -6.121115      4.789317
  H      -0.996496     -5.029334      3.387170
  H      -2.895580     -7.409048      3.763744
  H      -1.517061     -7.368668      2.630566
  H      -6.179195     -7.713235      2.264615
  H      -5.046350     -7.524280      3.621330
  H      -4.580397     -6.801039      0.677547
  H      -3.760918     -8.129975      1.550413
  H      -2.391065     -3.710146     -0.132261
  H      -3.999707     -4.281740      0.325667
  H      -1.349903     -5.537531      1.230315
  H      -2.493045     -6.288439      0.088482
  C      -1.966265     -2.530324      2.155587
  C      -0.808139     -2.473964      1.337658
  C       0.212094     -1.568557      1.568253
  C       0.112225     -0.662482      2.633662
  C      -1.015754     -0.669823      3.433343
  C      -2.086049     -1.574798      3.232129
  C      -3.274815     -1.535685      4.054030
  O      -4.143793     -2.518423      3.990781
  C      -3.674327     -0.490801      4.970944
  F      -4.899657     -0.782762      5.520397
  S      -2.975234      0.918687      5.445748
  C      -7.054451     -5.432668      3.062842
  C      -7.867415     -6.384497      3.725152
  C      -9.166584     -6.086889      4.098009
  C      -9.723965     -4.829787      3.811789
  C      -8.979020     -3.899761      3.109610
  C      -7.653569     -4.172919      2.701981
  C      -6.883957     -3.256397      1.884574
  O      -5.611386     -3.271014      1.896439
  C      -7.486555     -2.315277      0.921584
  F      -8.832074     -2.485962      0.755423
  S      -6.701312     -1.185865      0.049164
  C      -2.599734     -4.228695      5.725943
  C      -1.298741     -3.936756      6.190908
  C      -1.095700     -3.169133      7.330103
  C      -2.186738     -2.673540      8.053632
  C      -3.473060     -2.999722      7.652864
  C      -3.715067     -3.796698      6.515993
  C      -5.067460     -4.216122      6.167792
  O      -5.408793     -4.519397      4.963979
  C      -6.106159     -4.421065      7.171280
  F      -7.333839     -4.546018      6.582643
  S      -5.987629     -4.624133      8.794296
  H      -0.684692     -3.187778      0.525559
  H       1.094818     -1.578679      0.926633
  H       0.916797      0.044994      2.837938
  H      -1.103779      0.041879      4.251049
  H      -7.437434     -7.342505      4.014156
  H      -9.747494     -6.827382      4.650750
  H     -10.733083     -4.585153      4.143569
  H      -9.411199     -2.927534      2.884498
  H      -0.436166     -4.250930      5.605358
  H      -0.076692     -2.922383      7.632923
  H      -2.031660     -2.030336      8.919876
  H      -4.325480     -2.617615      8.209289
  N      -7.478526     -5.149199     -0.861307
  N      -6.732666     -5.930114     -0.633102
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836184909348
  N      -2.923172     -3.501964      1.930702
  C      -2.951700     -4.224784      0.659422
  C      -2.409726     -5.612154      0.950360
  N      -3.184587     -6.153326      2.104283
  C      -4.207415     -7.128876      1.657608
  C      -5.349110     -7.100010      2.646659
  N      -5.746903     -5.703473      2.746828
  Mo     -4.238371     -4.290552      3.225375
  N      -2.790848     -4.872440      4.508724
  C      -1.685283     -5.662003      3.978552
  C      -2.289827     -6.755694      3.123979
  H      -1.099459     -6.121218      4.789413
  H      -0.997002     -5.030098      3.386628
  H      -2.896387     -7.409467      3.765612
  H      -1.517998     -7.370411      2.631973
  H      -6.179993     -7.714951      2.266486
  H      -5.047538     -7.525080      3.623350
  H      -4.581263     -6.803577      0.679064
  H      -3.761570     -8.131942      1.552633
  H      -2.390297     -3.713572     -0.132680
  H      -3.999259     -4.283597      0.324393
  H      -1.350791     -5.540203      1.231265
  H      -2.493861     -6.291320      0.089433
  C      -1.967756     -2.531006      2.154159
  C      -0.810014     -2.473735      1.335658
  C       0.209472     -1.567265      1.565172
  C       0.109203     -0.660656      2.630074
  C      -1.018198     -0.668984      3.430541
  C      -2.087612     -1.575264      3.230673
  C      -3.275840     -1.537229      4.053513
  O      -4.144808     -2.519863      3.989518
  C      -3.675226     -0.493781      4.972293
  F      -4.902454     -0.784810      5.518077
  S      -2.973472      0.911768      5.454541
  C      -7.055069     -5.433458      3.063622
  C      -7.868479     -6.385315      3.725524
  C      -9.167230     -6.087173      4.099237
  C      -9.723826     -4.829366      3.814371
  C      -8.978683     -3.899377      3.112457
  C      -7.653671     -4.173064      2.703642
  C      -6.884118     -3.257162      1.885534
  O      -5.611549     -3.273472      1.895415
  C      -7.486848     -2.314837      0.923737
  F      -8.833133     -2.482173      0.760854
  S      -6.700918     -1.187242      0.049530
  C      -2.599666     -4.228717      5.725805
  C      -1.298823     -3.936697      6.190962
  C      -1.095981     -3.168596      7.329899
  C      -2.187102     -2.672590      8.052932
  C      -3.473402     -2.998825      7.652017
  C      -3.715226     -3.796296      6.515491
  C      -5.067561     -4.215847      6.167405
  O      -5.408860     -4.520302      4.963916
  C      -6.106587     -4.419775      7.170951
  F      -7.334063     -4.544935      6.582137
  S      -5.988695     -4.621667      8.794213
  H      -0.686348     -3.187962      0.523966
  H       1.091815     -1.576814      0.923018
  H       0.913038      0.047915      2.833459
  H      -1.106425      0.042882      4.248085
  H      -7.439070     -7.343784      4.013834
  H      -9.748316     -6.827759      4.651665
  H     -10.732523     -4.584149      4.147001
  H      -9.410397     -2.926687      2.888506
  H      -0.436252     -4.251223      5.605580
  H      -0.077057     -2.921774      7.632936
  H      -2.032142     -2.028884      8.918814
  H      -4.325930     -2.616398      8.208018
  N      -7.463420     -5.136429     -0.852992
  N      -6.699130     -5.907342     -0.656655
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836210127497
  N      -2.924697     -3.503007      1.930300
  C      -2.951821     -4.226673      0.659445
  C      -2.412277     -5.614758      0.950543
  N      -3.186477     -6.155554      2.104820
  C      -4.209682     -7.131568      1.659930
  C      -5.350583     -7.101763      2.649975
  N      -5.747425     -5.704960      2.749775
  Mo     -4.239253     -4.293866      3.225919
  N      -2.789572     -4.871757      4.508779
  C      -1.684428     -5.660598      3.975857
  C      -2.290525     -6.756245      3.125068
  H      -1.095211     -6.118352      4.785088
  H      -0.999548     -5.027759      3.381234
  H      -2.897584     -7.407590      3.768642
  H      -1.519583     -7.372501      2.633623
  H      -6.181990     -7.716383      2.270327
  H      -5.049250     -7.526496      3.626846
  H      -4.584555     -6.806204      0.681805
  H      -3.763350     -8.134358      1.554585
  H      -2.389979     -3.716457     -0.132969
  H      -3.999303     -4.283635      0.323314
  H      -1.353011     -5.545111      1.230778
  H      -2.498289     -6.292259      0.088472
  C      -1.970444     -2.531518      2.154852
  C      -0.812819     -2.471950      1.335992
  C       0.205285     -1.563990      1.565050
  C       0.103528     -0.657308      2.629770
  C      -1.023300     -0.667955      3.430921
  C      -2.091093     -1.576369      3.232250
  C      -3.278782     -1.540863      4.056066
  O      -4.148459     -2.522632      3.989911
  C      -3.677229     -0.500567      4.979431
  F      -4.908876     -0.788665      5.516992
  S      -2.968874      0.895707      5.477973
  C      -7.055416     -5.433032      3.065915
  C      -7.869538     -6.383302      3.729176
  C      -9.167637     -6.083107      4.103517
  C      -9.722365     -4.824619      3.817867
  C      -8.976726     -3.896584      3.113918
  C      -7.652576     -4.172498      2.704031
  C      -6.882510     -3.260772      1.881393
  O      -5.609825     -3.277608      1.891271
  C      -7.485061     -2.324712      0.913814
  F      -8.833866     -2.482948      0.762859
  S      -6.696990     -1.213400      0.020347
  C      -2.597361     -4.228796      5.725503
  C      -1.296630     -3.937373      6.191140
  C      -1.093726     -3.169022      7.329906
  C      -2.184649     -2.671881      8.052356
  C      -3.471103     -2.997490      7.651289
  C      -3.713134     -3.795669      6.515304
  C      -5.065338     -4.215671      6.168333
  O      -5.407622     -4.523513      4.966179
  C      -6.104792     -4.417547      7.172818
  F      -7.332101     -4.541442      6.584206
  S      -5.987541     -4.618921      8.796224
  H      -0.688982     -3.186404      0.524556
  H       1.087361     -1.571995      0.922513
  H       0.905884      0.053043      2.832808
  H      -1.112180      0.043572      4.248706
  H      -7.441469     -7.342123      4.018350
  H      -9.749254     -6.822558      4.656877
  H     -10.730282     -4.577117      4.151201
  H      -9.407578     -2.923703      2.889112
  H      -0.434478     -4.252546      5.605460
  H      -0.074867     -2.922557      7.633436
  H      -2.029412     -2.027461      8.917655
  H      -4.323687     -2.614251      8.206566
  N      -7.477077     -5.142766     -0.848984
  N      -6.648727     -5.856092     -0.697820
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836232044369
  N      -2.925388     -3.506601      1.929839
  C      -2.951626     -4.230364      0.658944
  C      -2.414735     -5.619221      0.950380
  N      -3.188175     -6.158821      2.105791
  C      -4.211018     -7.136213      1.663058
  C      -5.351924     -7.104646      2.653067
  N      -5.748612     -5.707561      2.750183
  Mo     -4.240138     -4.297249      3.225361
  N      -2.788900     -4.871503      4.508300
  C      -1.683964     -5.660159      3.974449
  C      -2.291061     -6.757440      3.126448
  H      -1.092669     -6.116680      4.782840
  H      -1.001236     -5.026997      3.377733
  H      -2.897687     -7.407215      3.772032
  H      -1.520760     -7.374850      2.635431
  H      -6.183283     -7.720210      2.274874
  H      -5.050691     -7.527257      3.630897
  H      -4.586126     -6.812949      0.684354
  H      -3.764258     -8.139027      1.559849
  H      -2.387951     -3.720855     -0.132599
  H      -3.998650     -4.284903      0.320284
  H      -1.354741     -5.552222      1.228502
  H      -2.504171     -6.296989      0.088864
  C      -1.972477     -2.534009      2.154556
  C      -0.814401     -2.473672      1.336255
  C       0.202107     -1.563777      1.564139
  C       0.098199     -0.655280      2.627164
  C      -1.028666     -0.667050      3.428204
  C      -2.094614     -1.578012      3.231194
  C      -3.282032     -1.543677      4.055473
  O      -4.151690     -2.525410      3.988059
  C      -3.680307     -0.505116      4.980966
  F      -4.914788     -0.791320      5.513299
  S      -2.968754      0.886211      5.488414
  C      -7.056115     -5.434406      3.066966
  C      -7.870676     -6.383816      3.731019
  C      -9.167903     -6.082054      4.106956
  C      -9.721303     -4.822759      3.822306
  C      -8.975458     -3.895572      3.117509
  C      -7.652216     -4.173046      2.705636
  C      -6.882208     -3.262434      1.881415
  O      -5.609497     -3.281461      1.888418
  C      -7.485161     -2.325684      0.914800
  F      -8.835121     -2.478776      0.769223
  S      -6.696417     -1.218553      0.016587
  C      -2.596678     -4.228233      5.724519
  C      -1.296217     -3.936257      6.190337
  C      -1.093722     -3.167051      7.328553
  C      -2.184891     -2.669437      8.050384
  C      -3.471196     -2.995798      7.649385
  C      -3.712806     -3.795083      6.514038
  C      -5.064528     -4.216661      6.167933
  O      -5.406801     -4.527479      4.966462
  C      -6.103910     -4.417580      7.172855
  F      -7.331214     -4.542484      6.584347
  S      -5.986910     -4.617085      8.796441
  H      -0.689412     -3.189439      0.526142
  H       1.084446     -1.571321      0.921954
  H       0.898914      0.057210      2.829161
  H      -1.118966      0.045387      4.245090
  H      -7.443435     -7.343128      4.019745
  H      -9.749706     -6.820916      4.660907
  H     -10.728405     -4.573869      4.157080
  H      -9.405381     -2.922105      2.893619
  H      -0.433977     -4.251754      5.604930
  H      -0.075038     -2.919991      7.632190
  H      -2.029897     -2.024097      8.915014
  H      -4.323950     -2.612157      8.204120
  N      -7.468551     -5.133413     -0.841507
  N      -6.591220     -5.794481     -0.731971
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836264731141
  N      -2.926237     -3.510639      1.930119
  C      -2.951354     -4.233101      0.658262
  C      -2.418506     -5.623470      0.948560
  N      -3.190645     -6.162216      2.105409
  C      -4.212736     -7.141464      1.665448
  C      -5.353610     -7.107702      2.655522
  N      -5.749981     -5.710196      2.748883
  Mo     -4.242265     -4.300565      3.224187
  N      -2.788140     -4.870897      4.506481
  C      -1.683469     -5.658807      3.970973
  C      -2.291873     -6.757978      3.126221
  H      -1.089129     -6.113918      4.777870
  H      -1.003922     -5.024799      3.371486
  H      -2.897276     -7.406073      3.774701
  H      -1.522462     -7.376793      2.635511
  H      -6.185176     -7.724445      2.279854
  H      -5.052005     -7.527360      3.634531
  H      -4.588383     -6.821013      0.686031
  H      -3.765564     -8.144372      1.564973
  H      -2.384858     -3.723590     -0.131261
  H      -3.996913     -4.284772      0.315336
  H      -1.357098     -5.561535      1.222367
  H      -2.514409     -6.301185      0.087690
  C      -1.974495     -2.537558      2.156233
  C      -0.814472     -2.477611      1.340509
  C       0.200548     -1.566366      1.568613
  C       0.093252     -0.655639      2.629527
  C      -1.035122     -0.667420      3.428413
  C      -2.099593     -1.580180      3.231379
  C      -3.287895     -1.545975      4.054512
  O      -4.157009     -2.528254      3.986557
  C      -3.687259     -0.507536      4.979593
  F      -4.922935     -0.793581      5.509664
  S      -2.976474      0.883554      5.488501
  C      -7.056704     -5.435546      3.067953
  C      -7.871152     -6.383044      3.734758
  C      -9.167110     -6.078797      4.113039
  C      -9.719164     -4.819006      3.828311
  C      -8.973453     -3.893592      3.120982
  C      -7.651544     -4.173605      2.706497
  C      -6.881872     -3.263844      1.880337
  O      -5.609107     -3.283834      1.884593
  C      -7.486084     -2.327011      0.914668
  F      -8.836395     -2.479558      0.770946
  S      -6.698563     -1.220183      0.014968
  C      -2.595665     -4.227289      5.722083
  C      -1.295409     -3.934113      6.187511
  C      -1.093193     -3.163997      7.325050
  C      -2.184577     -2.666545      8.046936
  C      -3.470704     -2.994527      7.646674
  C      -3.711932     -3.794942      6.511939
  C      -5.062870     -4.219430      6.167592
  O      -5.405360     -4.533763      4.966886
  C      -6.101223     -4.420052      7.173530
  F      -7.329014     -4.547135      6.585845
  S      -5.983321     -4.617141      8.797140
  H      -0.687825     -3.195283      0.532307
  H       1.084366     -1.574128      0.928459
  H       0.892501      0.058404      2.831785
  H      -1.127574      0.046303      4.243954
  H      -7.444490     -7.342568      4.023581
  H      -9.748848     -6.816156      4.669067
  H     -10.725150     -4.568243      4.165046
  H      -9.402210     -2.919651      2.897110
  H      -0.433098     -4.249495      5.602101
  H      -0.074694     -2.915679      7.628291
  H      -2.029716     -2.020359      8.910924
  H      -4.323487     -2.611018      8.201513
  N      -7.455901     -5.129808     -0.838816
  N      -6.532703     -5.728737     -0.757049
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836289756109
  N      -2.926256     -3.514471      1.930778
  C      -2.950491     -4.235701      0.658594
  C      -2.420140     -5.627491      0.947936
  N      -3.192410     -6.165504      2.105761
  C      -4.214006     -7.145860      1.666917
  C      -5.355583     -7.110440      2.656413
  N      -5.751421     -5.712508      2.747640
  Mo     -4.243904     -4.303408      3.222960
  N      -2.788572     -4.871989      4.505360
  C      -1.684063     -5.659755      3.969856
  C      -2.293159     -6.759918      3.126688
  H      -1.088706     -6.113778      4.776581
  H      -1.005518     -5.026128      3.368730
  H      -2.897743     -7.407090      3.776909
  H      -1.524386     -7.379729      2.636193
  H      -6.187437     -7.727488      2.281916
  H      -5.054277     -7.528629      3.636165
  H      -4.588959     -6.827346      0.686584
  H      -3.766799     -8.148971      1.568745
  H      -2.381220     -3.726664     -0.129250
  H      -3.994916     -4.286041      0.312380
  H      -1.357990     -5.568792      1.219448
  H      -2.519621     -6.304967      0.087329
  C      -1.975650     -2.540252      2.157159
  C      -0.813659     -2.481569      1.344050
  C       0.199701     -1.568482      1.571654
  C       0.088735     -0.654546      2.629483
  C      -1.041096     -0.665718      3.426236
  C      -2.103832     -1.580814      3.229974
  C      -3.292720     -1.546991      4.052050
  O      -4.160462     -2.530649      3.984443
  C      -3.693774     -0.508460      4.976148
  F      -4.928991     -0.796188      5.506559
  S      -2.986187      0.885074      5.482989
  C      -7.057501     -5.436458      3.068497
  C      -7.872330     -6.382739      3.736452
  C      -9.167005     -6.076163      4.117238
  C      -9.717299     -4.815278      3.834178
  C      -8.971358     -3.891012      3.125574
  C      -7.650868     -4.173577      2.708067
  C      -6.881969     -3.264524      1.880337
  O      -5.609159     -3.286158      1.880548
  C      -7.487698     -2.326550      0.916690
  F      -8.838031     -2.479589      0.773390
  S      -6.701450     -1.218128      0.017856
  C      -2.595898     -4.227016      5.720125
  C      -1.295480     -3.932123      6.184288
  C      -1.093290     -3.160785      7.320918
  C      -2.184752     -2.664001      8.043409
  C      -3.470739     -2.993996      7.644607
  C      -3.711864     -3.795474      6.510539
  C      -5.062191     -4.222914      6.167803
  O      -5.405139     -4.538914      4.967622
  C      -6.098772     -4.424512      7.175149
  F      -7.327412     -4.553748      6.589133
  S      -5.978265     -4.619736      8.798587
  H      -0.684691     -3.201756      0.538461
  H       1.085180     -1.577123      0.933810
  H       0.886369      0.061481      2.831107
  H      -1.136019      0.050143      4.239627
  H      -7.446530     -7.342965      4.024181
  H      -9.749057     -6.812516      4.674281
  H     -10.722138     -4.562941      4.173140
  H      -9.398574     -2.916158      2.902851
  H      -0.433163     -4.247098      5.598659
  H      -0.074849     -2.910894      7.623076
  H      -2.029883     -2.017053      8.906823
  H      -4.323422     -2.611179      8.200152
  N      -7.441090     -5.127612     -0.830512
  N      -6.478858     -5.666501     -0.778873
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836038300972
  N      -2.924071     -3.518488      1.936992
  C      -2.948033     -4.231415      0.660435
  C      -2.424771     -5.628308      0.941204
  N      -3.196825     -6.167189      2.100876
  C      -4.217201     -7.149019      1.663003
  C      -5.359742     -7.110995      2.652480
  N      -5.753697     -5.711923      2.740548
  Mo     -4.251129     -4.301830      3.219461
  N      -2.792352     -4.875045      4.499562
  C      -1.687662     -5.660372      3.964113
  C      -2.296786     -6.760224      3.119521
  H      -1.091523     -6.113504      4.770585
  H      -1.009879     -5.027125      3.361046
  H      -2.895984     -7.409768      3.772634
  H      -1.528653     -7.379792      2.627424
  H      -6.194094     -7.727400      2.282892
  H      -5.055992     -7.526913      3.632540
  H      -4.590950     -6.833914      0.681026
  H      -3.771452     -8.153154      1.568738
  H      -2.369065     -3.722769     -0.120684
  H      -3.983956     -4.280778      0.305818
  H      -1.359723     -5.580918      1.202847
  H      -2.537090     -6.303606      0.080612
  C      -1.973243     -2.545205      2.167241
  C      -0.801898     -2.495817      1.366887
  C       0.210080     -1.582968      1.599555
  C       0.088885     -0.661710      2.650111
  C      -1.049359     -0.665112      3.434670
  C      -2.111978     -1.579928      3.232744
  C      -3.306426     -1.541362      4.046355
  O      -4.170161     -2.529977      3.983811
  C      -3.714843     -0.495227      4.957141
  F      -4.937931     -0.795615      5.508569
  S      -3.034395      0.927969      5.418313
  C      -7.058359     -5.433707      3.069493
  C      -7.871490     -6.374499      3.745875
  C      -9.163392     -6.061602      4.131672
  C      -9.711722     -4.800808      3.845961
  C      -8.966633     -3.881560      3.129440
  C      -7.649224     -4.171430      2.706739
  C      -6.883798     -3.262252      1.875436
  O      -5.610680     -3.279534      1.870327
  C      -7.496442     -2.326680      0.913897
  F      -8.841228     -2.508248      0.748397
  S      -6.722280     -1.192851      0.037171
  C      -2.597830     -4.226079      5.712628
  C      -1.295785     -3.924446      6.169552
  C      -1.091818     -3.151626      7.304569
  C      -2.182442     -2.661295      8.033979
  C      -3.468256     -2.999000      7.642446
  C      -3.710640     -3.800458      6.508423
  C      -5.059730     -4.236835      6.171537
  O      -5.406098     -4.549458      4.971301
  C      -6.086591     -4.448364      7.184841
  F      -7.320347     -4.582839      6.607447
  S      -5.950858     -4.645818      8.805802
  H      -0.666866     -3.222569      0.568234
  H       1.103670     -1.597190      0.973222
  H       0.885640      0.054248      2.855441
  H      -1.150625      0.057033      4.241542
  H      -7.444944     -7.334185      4.034342
  H      -9.745400     -6.792687      4.695718
  H     -10.714437     -4.545651      4.189021
  H      -9.390845     -2.906137      2.903478
  H      -0.433695     -4.234899      5.581230
  H      -0.072999     -2.895748      7.600484
  H      -2.026389     -2.014965      8.897725
  H      -4.319417     -2.621780      8.204528
  N      -7.422087     -5.162555     -0.839763
  N      -6.434779     -5.630947     -0.782038
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836311224600
  N      -2.925748     -3.517852      1.934168
  C      -2.948902     -4.234972      0.660193
  C      -2.423362     -5.630088      0.944999
  N      -3.195787     -6.168041      2.103764
  C      -4.217212     -7.149145      1.665793
  C      -5.359154     -7.111694      2.655343
  N      -5.753426     -5.713116      2.745074
  Mo     -4.248039     -4.304528      3.221344
  N      -2.790359     -4.874347      4.502569
  C      -1.686238     -5.660787      3.966202
  C      -2.295962     -6.761555      3.123782
  H      -1.089585     -6.113402      4.772695
  H      -1.008756     -5.027962      3.362771
  H      -2.898333     -7.408927      3.776006
  H      -1.527912     -7.381923      2.632789
  H      -6.192563     -7.727794      2.282799
  H      -5.057209     -7.529099      3.635253
  H      -4.591164     -6.832244      0.684461
  H      -3.770893     -8.152836      1.569846
  H      -2.373427     -3.726190     -0.123461
  H      -3.989858     -4.284990      0.306988
  H      -1.359977     -5.578050      1.212779
  H      -2.529026     -6.304909      0.083207
  C      -1.975659     -2.543244      2.162859
  C      -0.808363     -2.489275      1.357089
  C       0.203452     -1.575193      1.587005
  C       0.085580     -0.656401      2.639954
  C      -1.048982     -0.663883      3.429878
  C      -2.110524     -1.580176      3.231146
  C      -3.302183     -1.545148      4.048861
  O      -4.166942     -2.532038      3.983925
  C      -3.707728     -0.503461      4.966859
  F      -4.936422     -0.799090      5.508021
  S      -3.014342      0.905096      5.452255
  C      -7.058506     -5.434774      3.069812
  C      -7.873285     -6.377583      3.742087
  C      -9.166009     -6.066449      4.126134
  C      -9.713793     -4.804707      3.842389
  C      -8.967701     -3.883891      3.129290
  C      -7.649400     -4.171649      2.708153
  C      -6.882267     -3.264936      1.876287
  O      -5.609155     -3.285350      1.872848
  C      -7.491607     -2.330541      0.911655
  F      -8.840369     -2.494082      0.762529
  S      -6.710514     -1.215606      0.016423
  C      -2.596112     -4.227036      5.715969
  C      -1.294572     -3.928065      6.175539
  C      -1.091269     -3.155075      7.310677
  C      -2.182094     -2.661230      8.036711
  C      -3.468149     -2.995674      7.642688
  C      -3.710258     -3.798350      6.509589
  C      -5.059713     -4.231817      6.170709
  O      -5.404822     -4.547048      4.971160
  C      -6.090801     -4.439441      7.182022
  F      -7.321921     -4.572672      6.601154
  S      -5.961230     -4.635586      8.804180
  H      -0.674895     -3.213581      0.555935
  H       1.093583     -1.586802      0.955720
  H       0.881929      0.060640      2.843102
  H      -1.148456      0.055800      4.239295
  H      -7.448238     -7.338138      4.029892
  H      -9.748683     -6.799637      4.686704
  H     -10.716991     -4.549660      4.184143
  H      -9.392502     -2.908263      2.905230
  H      -0.432724     -4.240552      5.587932
  H      -0.072569     -2.901570      7.608974
  H      -2.026292     -2.013565      8.899451
  H      -4.319907     -2.615164      8.201312
  N      -7.432798     -5.156737     -0.831867
  N      -6.423616     -5.600776     -0.791874
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836318099868
  N      -2.928863     -3.516613      1.929753
  C      -2.951916     -4.240107      0.658714
  C      -2.421276     -5.631376      0.949108
  N      -3.193498     -6.168291      2.107370
  C      -4.215559     -7.148553      1.669089
  C      -5.357289     -7.111454      2.658163
  N      -5.753128     -5.713532      2.747376
  Mo     -4.245138     -4.304717      3.223279
  N      -2.789231     -4.873759      4.505112
  C      -1.684708     -5.661996      3.970388
  C      -2.293953     -6.762813      3.128031
  H      -1.090191     -6.115040      4.778316
  H      -1.005332     -5.029783      3.368795
  H      -2.898278     -7.410100      3.778383
  H      -1.525318     -7.382594      2.637315
  H      -6.189118     -7.728873      2.284064
  H      -5.056400     -7.528416      3.638563
  H      -4.589529     -6.830791      0.688184
  H      -3.768834     -8.151969      1.572252
  H      -2.380606     -3.732730     -0.128774
  H      -3.996523     -4.286758      0.310888
  H      -1.359485     -5.571642      1.221852
  H      -2.519153     -6.309274      0.088690
  C      -1.977822     -2.542187      2.155498
  C      -0.814941     -2.484909      1.343644
  C       0.198796     -1.572335      1.572020
  C       0.087424     -0.658010      2.629434
  C      -1.043581     -0.667493      3.424576
  C      -2.106864     -1.581490      3.226928
  C      -3.296452     -1.546476      4.047918
  O      -4.162154     -2.532080      3.984092
  C      -3.699502     -0.504455      4.966986
  F      -4.929953     -0.796345      5.506043
  S      -2.998981      0.898292      5.458084
  C      -7.059131     -5.437258      3.068670
  C      -7.874021     -6.383926      3.736183
  C      -9.168565     -6.077511      4.117419
  C      -9.718843     -4.816291      3.835378
  C      -8.972948     -3.891614      3.127462
  C      -7.652459     -4.174028      2.709610
  C      -6.884222     -3.264002      1.883132
  O      -5.611541     -3.286458      1.881096
  C      -7.491228     -2.321405      0.924462
  F      -8.840554     -2.478884      0.777078
  S      -6.706906     -1.203205      0.036391
  C      -2.595947     -4.227003      5.718978
  C      -1.295328     -3.929850      6.181248
  C      -1.093079     -3.156976      7.316908
  C      -2.184416     -2.661036      8.040049
  C      -3.470449     -2.993174      7.643088
  C      -3.711589     -3.796244      6.510278
  C      -5.061712     -4.226223      6.168874
  O      -5.405054     -4.541959      4.968938
  C      -6.096594     -4.430822      7.177418
  F      -7.325461     -4.563001      6.592782
  S      -5.973485     -4.626430      8.800701
  H      -0.685408     -3.205728      0.538731
  H       1.085085     -1.581651      0.935321
  H       0.885869      0.056854      2.831984
  H      -1.138773      0.049173      4.237203
  H      -7.448189     -7.344362      4.023121
  H      -9.750781     -6.814121      4.673939
  H     -10.723677     -4.564400      4.174678
  H      -9.400127     -2.916510      2.905519
  H      -0.433062     -4.243836      5.595022
  H      -0.074626     -2.905388      7.617623
  H      -2.029490     -2.012983      8.902644
  H      -4.322972     -2.611017      8.199277
  N      -7.411142     -5.119379     -0.807683
  N      -6.422530     -5.607514     -0.804491
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836336417660
  N      -2.928799     -3.517282      1.931088
  C      -2.951259     -4.238745      0.659306
  C      -2.422614     -5.631387      0.948575
  N      -3.195738     -6.168607      2.106817
  C      -4.218015     -7.148628      1.667937
  C      -5.359702     -7.111522      2.657388
  N      -5.754398     -5.713231      2.747632
  Mo     -4.246752     -4.305351      3.222522
  N      -2.790480     -4.875369      4.504108
  C      -1.686434     -5.663747      3.969559
  C      -2.296331     -6.764034      3.126839
  H      -1.092178     -6.116909      4.777605
  H      -1.006562     -5.032245      3.367660
  H      -2.900136     -7.411609      3.777414
  H      -1.528187     -7.383972      2.635541
  H      -6.192489     -7.727884      2.283750
  H      -5.058255     -7.529337      3.637258
  H      -4.591585     -6.830401      0.686938
  H      -3.771655     -8.152181      1.570885
  H      -2.377354     -3.731639     -0.126504
  H      -3.993988     -4.286727      0.308593
  H      -1.360623     -5.573740      1.220863
  H      -2.521945     -6.308590      0.087843
  C      -1.978307     -2.542331      2.157617
  C      -0.813809     -2.486206      1.347991
  C       0.198989     -1.572770      1.576793
  C       0.084983     -0.656624      2.632373
  C      -1.047368     -0.665382      3.425526
  C      -2.109798     -1.580495      3.227556
  C      -3.300127     -1.545907      4.047342
  O      -4.164731     -2.532677      3.983492
  C      -3.705025     -0.503990      4.965528
  F      -4.933775     -0.799004      5.506836
  S      -3.009333      0.902701      5.452626
  C      -7.059866     -5.435553      3.070413
  C      -7.874895     -6.380482      3.739982
  C      -9.168223     -6.071498      4.123305
  C      -9.716790     -4.809515      3.841441
  C      -8.970844     -3.886734      3.131029
  C      -7.651759     -4.172074      2.710638
  C      -6.884267     -3.264600      1.880394
  O      -5.611450     -3.287161      1.876515
  C      -7.492574     -2.326627      0.918257
  F      -8.842218     -2.484228      0.773338
  S      -6.709122     -1.213904      0.022325
  C      -2.596331     -4.227602      5.717409
  C      -1.295190     -3.929099      6.177641
  C      -1.092152     -3.155895      7.312899
  C      -2.182994     -2.661332      8.037936
  C      -3.469172     -2.994995      7.642993
  C      -3.710967     -3.797952      6.510223
  C      -5.060880     -4.229848      6.170424
  O      -5.405613     -4.544589      4.970844
  C      -6.093307     -4.436722      7.180978
  F      -7.323506     -4.569280      6.598997
  S      -5.965622     -4.633461      8.803543
  H      -0.682430     -3.208417      0.544639
  H       1.086714     -1.582776      0.942107
  H       0.882613      0.059121      2.835055
  H      -1.144324      0.052650      4.236689
  H      -7.449630     -7.341218      4.026795
  H      -9.750814     -6.806465      4.681604
  H     -10.720496     -4.555813      4.182727
  H      -9.396603     -2.911087      2.908828
  H      -0.433278     -4.242222      5.590434
  H      -0.073491     -2.903125      7.611931
  H      -2.027455     -2.013418      8.900536
  H      -4.321242     -2.614051      8.200798
  N      -7.400734     -5.141770     -0.805549
  N      -6.388021     -5.579259     -0.822252
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836345834810
  N      -2.928643     -3.515456      1.932114
  C      -2.951043     -4.235792      0.659703
  C      -2.422734     -5.628809      0.948317
  N      -3.196784     -6.166631      2.105562
  C      -4.220112     -7.144985      1.665038
  C      -5.360939     -7.109415      2.655548
  N      -5.754509     -5.711123      2.749672
  Mo     -4.247056     -4.304053      3.223019
  N      -2.791363     -4.876381      4.504303
  C      -1.688075     -5.665342      3.969553
  C      -2.298348     -6.764194      3.125197
  H      -1.094702     -6.119557      4.777681
  H      -1.006859     -5.034515      3.368399
  H      -2.902802     -7.412332      3.774584
  H      -1.530297     -7.383854      2.633433
  H      -6.194683     -7.723880      2.280947
  H      -5.058745     -7.530132      3.633913
  H      -4.593678     -6.824048      0.684777
  H      -3.774593     -8.148666      1.565372
  H      -2.376634     -3.728369     -0.125577
  H      -3.992906     -4.286514      0.308516
  H      -1.361197     -5.570799      1.222297
  H      -2.520538     -6.304871      0.086544
  C      -1.977982     -2.540729      2.159615
  C      -0.812848     -2.485136      1.351035
  C       0.200030     -1.571934      1.580856
  C       0.085277     -0.655769      2.636290
  C      -1.047792     -0.664071      3.428419
  C      -2.110319     -1.578926      3.229440
  C      -3.301128     -1.544563      4.048619
  O      -4.165144     -2.531970      3.984971
  C      -3.706936     -0.502693      4.966365
  F      -4.933899     -0.800064      5.510266
  S      -3.014227      0.906808      5.449989
  C      -7.059886     -5.433037      3.072502
  C      -7.874897     -6.377290      3.742867
  C      -9.167992     -6.067550      4.126425
  C      -9.716033     -4.805474      3.843807
  C      -8.970119     -3.883649      3.132066
  C      -7.651387     -4.169931      2.711324
  C      -6.884227     -3.265081      1.877719
  O      -5.611252     -3.286649      1.874702
  C      -7.492901     -2.334026      0.909471
  F      -8.843261     -2.490045      0.768879
  S      -6.709271     -1.230792      0.001698
  C      -2.596145     -4.228647      5.717523
  C      -1.294415     -3.930483      6.176539
  C      -1.090253     -3.157484      7.311750
  C      -2.180324     -2.662902      8.037939
  C      -3.466910     -2.996173      7.644151
  C      -3.709822     -3.798760      6.511368
  C      -5.060050     -4.230400      6.172293
  O      -5.406157     -4.543376      4.972982
  C      -6.091308     -4.438555      7.184142
  F      -7.322190     -4.569903      6.603866
  S      -5.960507     -4.637513      8.806113
  H      -0.680423     -3.207159      0.547692
  H       1.088382     -1.582432      0.947061
  H       0.883016      0.059683      2.839620
  H      -1.145408      0.054027      4.239414
  H      -7.449807     -7.337989      4.030145
  H      -9.750776     -6.801795      4.685461
  H     -10.719471     -4.551072      4.185370
  H      -9.395659     -2.908129      2.908848
  H      -0.433078     -4.243576      5.588490
  H      -0.071208     -2.905062      7.609774
  H      -2.023873     -2.015304      8.900626
  H      -4.318480     -2.615194      8.202692
  N      -7.408511     -5.173468     -0.806818
  N      -6.383902     -5.582872     -0.834112
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836352705505
  N      -2.928914     -3.513327      1.932287
  C      -2.952176     -4.233403      0.659738
  C      -2.423034     -5.626211      0.948161
  N      -3.197099     -6.164593      2.104738
  C      -4.221345     -7.141579      1.663229
  C      -5.361153     -7.107487      2.654841
  N      -5.754385     -5.709374      2.751787
  Mo     -4.246709     -4.302366      3.223929
  N      -2.791983     -4.876964      4.504961
  C      -1.689091     -5.666454      3.970124
  C      -2.299299     -6.763932      3.123997
  H      -1.096680     -6.121836      4.778330
  H      -1.006613     -5.035863      3.370135
  H      -2.904307     -7.412923      3.771968
  H      -1.531029     -7.382890      2.631716
  H      -6.195337     -7.720972      2.279602
  H      -5.058109     -7.530200      3.632056
  H      -4.595346     -6.818419      0.683805
  H      -3.776377     -8.145277      1.561118
  H      -2.378546     -3.725766     -0.125977
  H      -3.994136     -4.285612      0.310033
  H      -1.361862     -5.566618      1.223288
  H      -2.519042     -6.301867      0.085848
  C      -1.977640     -2.539251      2.160083
  C      -0.812888     -2.483626      1.351118
  C       0.200743     -1.571318      1.581728
  C       0.087028     -0.656308      2.638227
  C      -1.045981     -0.664398      3.430496
  C      -2.109289     -1.578097      3.230573
  C      -3.300216     -1.543405      4.049669
  O      -4.164195     -2.530907      3.986551
  C      -3.706252     -0.500965      4.966609
  F      -4.931993     -0.799243      5.512595
  S      -3.015113      0.910645      5.446491
  C      -7.059969     -5.431755      3.073869
  C      -7.874777     -6.376096      3.744332
  C      -9.168324     -6.066960      4.126869
  C      -9.716972     -4.805417      3.842865
  C      -8.971210     -3.883674      3.130850
  C      -7.652009     -4.169330      2.711325
  C      -6.884743     -3.265629      1.876521
  O      -5.611738     -3.286013      1.875451
  C      -7.493149     -2.338483      0.904519
  F      -8.843859     -2.493614      0.766025
  S      -6.709162     -1.240105     -0.008940
  C      -2.596094     -4.229581      5.718361
  C      -1.294031     -3.932275      6.176949
  C      -1.089027     -3.159533      7.312226
  C      -2.178514     -2.664409      8.038807
  C      -3.465463     -2.996794      7.645385
  C      -3.709199     -3.799021      6.512564
  C      -5.059876     -4.229413      6.173448
  O      -5.406674     -4.540719      4.974083
  C      -6.091008     -4.438000      7.185577
  F      -7.322034     -4.567924      6.605786
  S      -5.959178     -4.638768      8.807282
  H      -0.680701     -3.204589      0.546777
  H       1.088844     -1.581917      0.947585
  H       0.885527      0.058119      2.842193
  H      -1.143045      0.052986      4.242178
  H      -7.449344     -7.336375      4.032572
  H      -9.751019     -6.801164      4.686042
  H     -10.720817     -4.551371      4.183501
  H      -9.397366     -2.908687      2.906380
  H      -0.433101     -4.245769      5.588522
  H      -0.069678     -2.907889      7.609868
  H      -2.021422     -2.017069      8.901570
  H      -4.316733     -2.615476      8.204154
  N      -7.412118     -5.192048     -0.800986
  N      -6.384360     -5.591264     -0.839203
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836360074597
  N      -2.929642     -3.510653      1.932388
  C      -2.954185     -4.230250      0.659845
  C      -2.424075     -5.623088      0.948066
  N      -3.197755     -6.162204      2.104112
  C      -4.222824     -7.138063      1.662101
  C      -5.361197     -7.105660      2.655314
  N      -5.754420     -5.707762      2.754759
  Mo     -4.246297     -4.300352      3.225231
  N      -2.792957     -4.877894      4.505905
  C      -1.690290     -5.667838      3.970988
  C      -2.300249     -6.763544      3.122570
  H      -1.099054     -6.124801      4.779190
  H      -1.006411     -5.037126      3.372701
  H      -2.905513     -7.413984      3.768781
  H      -1.531632     -7.381258      2.629297
  H      -6.195767     -7.718642      2.280083
  H      -5.056750     -7.529956      3.631385
  H      -4.597827     -6.812833      0.683800
  H      -3.778100     -8.141618      1.557267
  H      -2.381368     -3.722554     -0.126368
  H      -3.996882     -4.283022      0.311888
  H      -1.363142     -5.561814      1.223902
  H      -2.518543     -6.298650      0.085464
  C      -1.977488     -2.537534      2.160260
  C      -0.813558     -2.481605      1.350297
  C       0.201228     -1.570657      1.581829
  C       0.089485     -0.657571      2.640174
  C      -1.043186     -0.665541      3.433004
  C      -2.107672     -1.577452      3.231790
  C      -3.298600     -1.542093      4.050754
  O      -4.162623     -2.529614      3.988350
  C      -3.704437     -0.498661      4.966533
  F      -4.928237     -0.797943      5.516196
  S      -3.014058      0.914876      5.441831
  C      -7.060360     -5.430931      3.075594
  C      -7.874785     -6.375371      3.746386
  C      -9.169016     -6.067182      4.127357
  C      -9.718736     -4.806557      3.841189
  C      -8.973295     -3.884880      3.128740
  C      -7.653370     -4.169525      2.711039
  C      -6.885761     -3.266877      1.875297
  O      -5.612805     -3.285734      1.876977
  C      -7.493590     -2.343869      0.899132
  F      -8.844240     -2.499726      0.760754
  S      -6.708775     -1.251658     -0.021048
  C      -2.596225     -4.230723      5.719491
  C      -1.293817     -3.934450      6.177556
  C      -1.087741     -3.161844      7.312797
  C      -2.176497     -2.665929      8.039771
  C      -3.463903     -2.997334      7.646810
  C      -3.708631     -3.799210      6.514023
  C      -5.059950     -4.227763      6.174827
  O      -5.407495     -4.537041      4.975310
  C      -6.091020     -4.436555      7.187122
  F      -7.322172     -4.565097      6.607703
  S      -5.958274     -4.639727      8.808519
  H      -0.682336     -3.200977      0.544352
  H       1.088689     -1.581107      0.946792
  H       0.889156      0.055294      2.845006
  H      -1.139146      0.050670      4.245873
  H      -7.448642     -7.334880      4.036237
  H      -9.751455     -6.801303      4.686898
  H     -10.723199     -4.553136      4.180470
  H      -9.400374     -2.910683      2.902529
  H      -0.433376     -4.248709      5.588832
  H      -0.068034     -2.911126      7.609992
  H      -2.018614     -2.018790      8.902530
  H      -4.314800     -2.615625      8.205906
  N      -7.414745     -5.212823     -0.789268
  N      -6.379353     -5.588292     -0.852017
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836361777961
  N      -2.930239     -3.508085      1.932436
  C      -2.956292     -4.227029      0.659811
  C      -2.425413     -5.620072      0.947435
  N      -3.198164     -6.159945      2.103306
  C      -4.223611     -7.135376      1.661609
  C      -5.360241     -7.104641      2.656834
  N      -5.754115     -5.707051      2.757664
  Mo     -4.245825     -4.298180      3.226474
  N      -2.793930     -4.878745      4.506677
  C      -1.691056     -5.668542      3.971493
  C      -2.300356     -6.762615      3.120749
  H      -1.100683     -6.127094      4.779439
  H      -1.006314     -5.036982      3.375066
  H      -2.905197     -7.414947      3.765399
  H      -1.531177     -7.378671      2.626287
  H      -6.194995     -7.718011      2.282664
  H      -5.053787     -7.529465      3.632038
  H      -4.600373     -6.808815      0.684468
  H      -3.778665     -8.138598      1.554330
  H      -2.384220     -3.719318     -0.126862
  H      -3.999945     -4.279395      0.313599
  H      -1.364367     -5.557834      1.222742
  H      -2.519655     -6.295738      0.084837
  C      -1.976914     -2.536225      2.160303
  C      -0.813704     -2.480406      1.349382
  C       0.202758     -1.571543      1.582128
  C       0.093645     -0.660784      2.642734
  C      -1.038790     -0.668118      3.436004
  C      -2.105174     -1.577272      3.232961
  C      -3.296358     -1.540645      4.051440
  O      -4.160541     -2.528076      3.989796
  C      -3.702482     -0.495613      4.965127
  F      -4.925984     -0.794235      5.515749
  S      -3.014917      0.921899      5.432464
  C      -7.060581     -5.431491      3.077093
  C      -7.874347     -6.375999      3.748571
  C      -9.169633     -6.069229      4.127145
  C      -9.721176     -4.810168      3.837588
  C      -8.976194     -3.888468      3.124641
  C      -7.655083     -4.171514      2.709965
  C      -6.887088     -3.269135      1.874250
  O      -5.614249     -3.285778      1.879349
  C      -7.494562     -2.349019      0.895207
  F      -8.846330     -2.500415      0.762507
  S      -6.711074     -1.252833     -0.021302
  C      -2.596503     -4.231762      5.720557
  C      -1.293844     -3.936575      6.178330
  C      -1.086788     -3.164077      7.313526
  C      -2.174905     -2.667297      8.040727
  C      -3.462715     -2.997711      7.648000
  C      -3.708324     -3.799223      6.515211
  C      -5.060406     -4.225445      6.175748
  O      -5.408452     -4.532725      4.975891
  C      -6.091696     -4.433791      7.187811
  F      -7.323245     -4.559007      6.608560
  S      -5.959094     -4.637587      8.809214
  H      -0.684105     -3.198190      0.541740
  H       1.089601     -1.582116      0.946229
  H       0.895018      0.049775      2.848888
  H      -1.133046      0.046627      4.250335
  H      -7.447012     -7.334285      4.040783
  H      -9.751619     -6.803257      4.687279
  H     -10.726686     -4.557905      4.174623
  H      -9.404673     -2.915493      2.895649
  H      -0.433782     -4.251790      5.589577
  H      -0.066778     -2.914288      7.610461
  H      -2.016333     -2.020331      8.903482
  H      -4.313248     -2.615555      8.207352
  N      -7.419113     -5.234387     -0.775914
  N      -6.375568     -5.580216     -0.866488
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836370152326
  N      -2.930697     -3.506644      1.932483
  C      -2.957658     -4.225344      0.659615
  C      -2.426682     -5.618439      0.946345
  N      -3.198448     -6.158601      2.102520
  C      -4.223750     -7.134342      1.661634
  C      -5.359373     -7.104231      2.658035
  N      -5.754071     -5.706895      2.758540
  Mo     -4.245853     -4.296622      3.227084
  N      -2.794344     -4.878443      4.506700
  C      -1.691050     -5.667519      3.970863
  C      -2.299866     -6.761156      3.119338
  H      -1.100501     -6.126712      4.778307
  H      -1.006712     -5.034814      3.375199
  H      -2.903945     -7.414510      3.763667
  H      -1.530357     -7.376283      2.624216
  H      -6.194002     -7.718511      2.285125
  H      -5.051666     -7.528395      3.633138
  H      -4.601956     -6.807774      0.685018
  H      -3.778394     -8.137294      1.553532
  H      -2.386154     -3.717561     -0.127399
  H      -4.002010     -4.275994      0.314581
  H      -1.365256     -5.556620      1.220261
  H      -2.522180     -6.294117      0.083874
  C      -1.976488     -2.535681      2.160321
  C      -0.813557     -2.480201      1.348915
  C       0.204191     -1.573015      1.582466
  C       0.096981     -0.663770      2.644563
  C      -1.035326     -0.670447      3.438072
  C      -2.103267     -1.577434      3.233770
  C      -3.294680     -1.539735      4.051949
  O      -4.159255     -2.526806      3.990579
  C      -3.700771     -0.493739      4.964502
  F      -4.923124     -0.792995      5.517352
  S      -3.013194      0.924372      5.429744
  C      -7.060814     -5.432321      3.077658
  C      -7.873857     -6.377199      3.749489
  C      -9.169678     -6.071595      4.127202
  C      -9.722557     -4.813428      3.836494
  C      -8.978167     -3.891223      3.123528
  C      -7.656500     -4.173026      2.709876
  C      -6.888363     -3.269531      1.875419
  O      -5.615631     -3.285139      1.882142
  C      -7.495329     -2.349127      0.896236
  F      -8.845165     -2.509046      0.754080
  S      -6.710857     -1.255326     -0.022094
  C      -2.596747     -4.231807      5.720912
  C      -1.294095     -3.937312      6.178988
  C      -1.086773     -3.164944      7.314249
  C      -2.174741     -2.667527      8.041193
  C      -3.462669     -2.997233      7.648123
  C      -3.708554     -3.798664      6.515347
  C      -5.061154     -4.223275      6.175559
  O      -5.409133     -4.529941      4.975384
  C      -6.093017     -4.430658      7.186987
  F      -7.324365     -4.555593      6.606969
  S      -5.961700     -4.635429      8.808433
  H      -0.685427     -3.197225      0.540368
  H       1.090708     -1.583827      0.946110
  H       0.899623      0.045051      2.851721
  H      -1.128131      0.043263      4.253428
  H      -7.445572     -7.334799      4.042561
  H      -9.751046     -6.805909      4.687612
  H     -10.728565     -4.562111      4.172746
  H      -9.407558     -2.918824      2.893893
  H      -0.434072     -4.253128      5.590512
  H      -0.066704     -2.915720      7.611453
  H      -2.016002     -2.020591      8.903949
  H      -4.313057     -2.614566      8.207300
  N      -7.423432     -5.238476     -0.768785
  N      -6.378190     -5.574349     -0.870782
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836373931486
  N      -2.930412     -3.506953      1.933157
  C      -2.957682     -4.224631      0.659725
  C      -2.427862     -5.618355      0.944919
  N      -3.199243     -6.158662      2.101662
  C      -4.224200     -7.134964      1.661384
  C      -5.359461     -7.104785      2.658339
  N      -5.754302     -5.707458      2.758198
  Mo     -4.246728     -4.296397      3.226649
  N      -2.794822     -4.878246      4.505967
  C      -1.691323     -5.666477      3.969467
  C      -2.300033     -6.760472      3.118255
  H      -1.100022     -6.125455      4.776464
  H      -1.007941     -5.033088      3.373423
  H      -2.903262     -7.413987      3.763251
  H      -1.530558     -7.375560      2.623011
  H      -6.194270     -7.719446      2.286509
  H      -5.051059     -7.528336      3.633502
  H      -4.603104     -6.808830      0.684804
  H      -3.778599     -8.137813      1.553401
  H      -2.385790     -3.716582     -0.126879
  H      -4.001713     -4.274923      0.314129
  H      -1.365899     -5.558773      1.217123
  H      -2.525928     -6.293320      0.082206
  C      -1.976025     -2.536105      2.161322
  C      -0.812249     -2.481382      1.350977
  C       0.205402     -1.574259      1.584893
  C       0.097362     -0.664293      2.646338
  C      -1.035613     -0.670337      3.438854
  C      -2.103451     -1.577366      3.234135
  C      -3.295298     -1.539165      4.051434
  O      -4.159684     -2.526408      3.990161
  C      -3.701330     -0.492578      4.963220
  F      -4.921077     -0.793974      5.520738
  S      -3.012587      0.924930      5.428515
  C      -7.060997     -5.432759      3.077881
  C      -7.873846     -6.377141      3.750522
  C      -9.169562     -6.071129      4.128374
  C      -9.722445     -4.813167      3.837043
  C      -8.978153     -3.891405      3.123325
  C      -7.656632     -4.173705      2.709568
  C      -6.888732     -3.270107      1.874976
  O      -5.615940     -3.285064      1.881796
  C      -7.496017     -2.350272      0.895530
  F      -8.845358     -2.512855      0.751128
  S      -6.712249     -1.255184     -0.021844
  C      -2.597091     -4.231553      5.720152
  C      -1.294343     -3.937079      6.178093
  C      -1.086869     -3.164716      7.313288
  C      -2.174771     -2.667286      8.040420
  C      -3.462706     -2.996983      7.647498
  C      -3.708770     -3.798380      6.514699
  C      -5.061488     -4.222902      6.175259
  O      -5.409653     -4.529755      4.975104
  C      -6.093037     -4.429834      7.186873
  F      -7.324382     -4.556648      6.606851
  S      -5.961432     -4.635555      8.808108
  H      -0.683914     -3.199137      0.543122
  H       1.092565     -1.585495      0.949447
  H       0.899869      0.044588      2.853791
  H      -1.128978      0.043965      4.253660
  H      -7.445380     -7.334565      4.043904
  H      -9.750861     -6.805021      4.689416
  H     -10.728379     -4.561671      4.173383
  H      -9.407423     -2.919092      2.893111
  H      -0.434317     -4.252927      5.589649
  H      -0.066786     -2.915454      7.610411
  H      -2.015891     -2.020406      8.903193
  H      -4.312924     -2.614211      8.206875
  N      -7.423546     -5.247081     -0.765312
  N      -6.371505     -5.562392     -0.869381
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836379458950
  N      -2.929864     -3.507200      1.934177
  C      -2.957353     -4.223733      0.659793
  C      -2.429090     -5.618060      0.942571
  N      -3.199748     -6.158612      2.100137
  C      -4.224153     -7.135759      1.660851
  C      -5.358853     -7.105593      2.658597
  N      -5.754255     -5.708444      2.757559
  Mo     -4.247685     -4.295839      3.226319
  N      -2.794889     -4.877442      4.504896
  C      -1.691050     -5.664103      3.966897
  C      -2.299530     -6.758970      3.116557
  H      -1.098183     -6.122588      4.773004
  H      -1.009613     -5.029405      3.370051
  H      -2.901595     -7.412492      3.762673
  H      -1.530035     -7.374083      2.621353
  H      -6.193687     -7.721009      2.288104
  H      -5.049532     -7.528254      3.633877
  H      -4.604168     -6.810206      0.684416
  H      -3.778124     -8.138423      1.552966
  H      -2.385254     -3.714953     -0.126299
  H      -4.001092     -4.272669      0.313765
  H      -1.366411     -5.561712      1.212503
  H      -2.530714     -6.291636      0.079225
  C      -1.974917     -2.536880      2.162885
  C      -0.810276     -2.483328      1.353603
  C       0.207619     -1.576699      1.587880
  C       0.099076     -0.665998      2.648697
  C      -1.034604     -0.670936      3.440178
  C      -2.102716     -1.577564      3.235036
  C      -3.295187     -1.538447      4.051326
  O      -4.159611     -2.525588      3.990092
  C      -3.701378     -0.490750      4.961708
  F      -4.923221     -0.789315      5.516217
  S      -3.014473      0.929316      5.421747
  C      -7.060987     -5.434028      3.077987
  C      -7.873398     -6.378400      3.751059
  C      -9.169217     -6.072638      4.128915
  C      -9.722596     -4.815052      3.837235
  C      -8.978581     -3.893173      3.123301
  C      -7.656995     -4.175289      2.709643
  C      -6.889457     -3.270475      1.876128
  O      -5.616570     -3.284467      1.883356
  C      -7.496892     -2.349832      0.897600
  F      -8.845197     -2.517116      0.748259
  S      -6.713874     -1.251198     -0.016086
  C      -2.597163     -4.231497      5.719434
  C      -1.294382     -3.937809      6.177965
  C      -1.086881     -3.166326      7.313702
  C      -2.174808     -2.668969      8.040948
  C      -3.462717     -2.997834      7.647429
  C      -3.708933     -3.798329      6.513973
  C      -5.061948     -4.221840      6.174483
  O      -5.410157     -4.528916      4.974211
  C      -6.093718     -4.427262      7.185879
  F      -7.325587     -4.551184      6.605834
  S      -5.963527     -4.629663      8.807617
  H      -0.682291     -3.201933      0.546443
  H       1.095424     -1.588608      0.953342
  H       0.901709      0.042630      2.856503
  H      -1.128219      0.044050      4.254370
  H      -7.444476     -7.335597      4.044505
  H      -9.750214     -6.806580      4.690216
  H     -10.728639     -4.563892      4.173494
  H      -9.408075     -2.921028      2.892827
  H      -0.434253     -4.253566      5.589641
  H      -0.066824     -2.917639      7.611386
  H      -2.015862     -2.022788      8.904238
  H      -4.312789     -2.614900      8.206923
  N      -7.428253     -5.256715     -0.762476
  N      -6.369798     -5.551589     -0.864479
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836382267064
  N      -2.929100     -3.507092      1.934917
  C      -2.956626     -4.222873      0.659318
  C      -2.429943     -5.617511      0.939300
  N      -3.199340     -6.158177      2.097973
  C      -4.222837     -7.136709      1.660454
  C      -5.356947     -7.106478      2.659009
  N      -5.753774     -5.709766      2.756320
  Mo     -4.248733     -4.294229      3.225844
  N      -2.794641     -4.874739      4.503505
  C      -1.690139     -5.659110      3.963417
  C      -2.297886     -6.755727      3.114718
  H      -1.094763     -6.116503      4.768257
  H      -1.011815     -5.022451      3.365190
  H      -2.898589     -7.408932      3.762463
  H      -1.528039     -7.370951      2.620167
  H      -6.191328     -7.723416      2.290029
  H      -5.046609     -7.527592      3.634663
  H      -4.604277     -6.812329      0.684153
  H      -3.776105     -8.139123      1.553079
  H      -2.384706     -3.712838     -0.126250
  H      -4.000084     -4.268799      0.313440
  H      -1.366408     -5.564814      1.206453
  H      -2.535701     -6.289319      0.075111
  C      -1.972912     -2.538160      2.164323
  C      -0.807524     -2.486697      1.355923
  C       0.211697     -1.581891      1.590825
  C       0.103907     -0.671011      2.651594
  C      -1.030434     -0.673812      3.442154
  C      -2.100195     -1.578357      3.236111
  C      -3.293666     -1.537261      4.051239
  O      -4.158817     -2.523600      3.990137
  C      -3.700130     -0.488062      4.959860
  F      -4.921337     -0.786750      5.515651
  S      -3.013058      0.932321      5.418492
  C      -7.060794     -5.436541      3.077300
  C      -7.872294     -6.381582      3.750468
  C      -9.168763     -6.077377      4.127574
  C      -9.723807     -4.820795      3.835103
  C      -8.980389     -3.897970      3.121703
  C      -7.658104     -4.178452      2.709191
  C      -6.890958     -3.270626      1.878875
  O      -5.617960     -3.282963      1.887551
  C      -7.498174     -2.346732      0.903311
  F      -8.845684     -2.517207      0.749556
  S      -6.716979     -1.236342      0.002578
  C      -2.597424     -4.230003      5.718626
  C      -1.294833     -3.937656      6.178771
  C      -1.087753     -3.166939      7.315043
  C      -2.176019     -2.668704      8.041268
  C      -3.463774     -2.996033      7.646168
  C      -3.709840     -3.796106      6.512282
  C      -5.063274     -4.217862      6.172209
  O      -5.410876     -4.526061      4.971667
  C      -6.096368     -4.420508      7.182410
  F      -7.327446     -4.546012      6.600461
  S      -5.969576     -4.621857      8.804589
  H      -0.681016     -3.205982      0.549103
  H       1.100050     -1.595208      0.957079
  H       0.907613      0.036171      2.860159
  H      -1.123126      0.041422      4.256162
  H      -7.442349     -7.338209      4.044238
  H      -9.749010     -6.812046      4.688711
  H     -10.730487     -4.570988      4.170454
  H      -9.410935     -2.926376      2.890857
  H      -0.434332     -4.253739      5.591196
  H      -0.067837     -2.919324      7.614087
  H      -2.017355     -2.022938      8.904943
  H      -4.313881     -2.612048      8.204846
  N      -7.443146     -5.266361     -0.764086
  N      -6.382949     -5.554114     -0.853125
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836387872266
  N      -2.929824     -3.504329      1.935178
  C      -2.958702     -4.219100      0.659454
  C      -2.431384     -5.614203      0.938500
  N      -3.199981     -6.155943      2.096884
  C      -4.223938     -7.133915      1.659385
  C      -5.356701     -7.105196      2.659449
  N      -5.753805     -5.708727      2.758730
  Mo     -4.248750     -4.292309      3.226713
  N      -2.795322     -4.874866      4.503890
  C      -1.691006     -5.659113      3.963111
  C      -2.298479     -6.754602      3.112955
  H      -1.095832     -6.117527      4.767533
  H      -1.012316     -5.022011      3.365774
  H      -2.899241     -7.408863      3.759533
  H      -1.528275     -7.368846      2.617751
  H      -6.191286     -7.721942      2.290569
  H      -5.044994     -7.527543      3.634114
  H      -4.606449     -6.808011      0.684079
  H      -3.777187     -8.136103      1.549818
  H      -2.387711     -3.708384     -0.126269
  H      -4.003013     -4.266051      0.314824
  H      -1.367881     -5.560856      1.205798
  H      -2.536649     -6.285249      0.073634
  C      -1.972473     -2.536631      2.164927
  C      -0.807450     -2.485746      1.356080
  C       0.213349     -1.582902      1.592153
  C       0.107565     -0.673795      2.654611
  C      -1.026696     -0.675767      3.445354
  C      -2.098184     -1.577820      3.237712
  C      -3.291903     -1.535952      4.052462
  O      -4.157110     -2.522102      3.991687
  C      -3.699025     -0.486070      4.960016
  F      -4.919262     -0.785787      5.517191
  S      -3.014513      0.936898      5.414552
  C      -7.061203     -5.436416      3.078521
  C      -7.872277     -6.381628      3.751963
  C      -9.169529     -6.078577      4.127318
  C      -9.725785     -4.823018      3.832566
  C      -8.982657     -3.900144      3.118926
  C      -7.659502     -4.179377      2.708522
  C      -6.892021     -3.271941      1.878033
  O      -5.619006     -3.282497      1.889639
  C      -7.498520     -2.351255      0.899207
  F      -8.846091     -2.521895      0.745914
  S      -6.716825     -1.244220     -0.005300
  C      -2.597402     -4.230692      5.719265
  C      -1.294471     -3.939519      6.179082
  C      -1.086356     -3.168908      7.315257
  C      -2.173928     -2.669532      8.041587
  C      -3.462125     -2.995690      7.646808
  C      -3.709195     -3.795737      6.513152
  C      -5.063161     -4.215722      6.173026
  O      -5.411323     -4.522524      4.972389
  C      -6.096482     -4.418296      7.183180
  F      -7.327645     -4.541509      6.601287
  S      -5.969713     -4.621041      8.805263
  H      -0.682006     -3.203833      0.548028
  H       1.101431     -1.596748      0.958035
  H       0.912791      0.031321      2.864324
  H      -1.117997      0.038207      4.260574
  H      -7.441604     -7.337444      4.047356
  H      -9.749525     -6.813296      4.688641
  H     -10.733182     -4.574006      4.166354
  H      -9.414200     -2.929391      2.886302
  H      -0.434424     -4.256338      5.591252
  H      -0.066094     -2.922293      7.613959
  H      -2.014476     -2.023762      8.905092
  H      -4.311823     -2.610866      8.205499
  N      -7.449037     -5.291796     -0.752238
  N      -6.380922     -5.547080     -0.857769
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836390346331
  N      -2.930404     -3.503132      1.934666
  C      -2.959892     -4.218080      0.659242
  C      -2.431549     -5.613011      0.938741
  N      -3.199853     -6.155029      2.096812
  C      -4.224224     -7.132543      1.659103
  C      -5.356828     -7.104270      2.659250
  N      -5.753897     -5.707870      2.759627
  Mo     -4.248611     -4.291626      3.226974
  N      -2.795174     -4.874427      4.504110
  C      -1.691144     -5.659170      3.963423
  C      -2.298636     -6.754275      3.112832
  H      -1.096243     -6.117814      4.767929
  H      -1.011890     -5.022516      3.366254
  H      -2.899948     -7.408632      3.758763
  H      -1.528281     -7.368316      2.617614
  H      -6.191363     -7.720625      2.289557
  H      -5.045169     -7.527502      3.633528
  H      -4.606504     -6.806014      0.683967
  H      -3.777656     -8.134763      1.549004
  H      -2.389690     -3.707146     -0.126826
  H      -4.004659     -4.265500      0.315739
  H      -1.368367     -5.557933      1.207085
  H      -2.535059     -6.284140      0.073708
  C      -1.972562     -2.535934      2.164433
  C      -0.807844     -2.484810      1.355236
  C       0.213240     -1.582187      1.591588
  C       0.107909     -0.673582      2.654499
  C      -1.026149     -0.675764      3.445533
  C      -2.097632     -1.577685      3.237748
  C      -3.291037     -1.535633      4.052683
  O      -4.156537     -2.521491      3.992344
  C      -3.696790     -0.485437      4.960498
  F      -4.916981     -0.783715      5.518432
  S      -3.010123      0.936670      5.414567
  C      -7.061484     -5.435962      3.078570
  C      -7.872522     -6.381591      3.751546
  C      -9.170176     -6.079320      4.126064
  C      -9.726900     -4.824019      3.830824
  C      -8.983807     -3.900826      3.117622
  C      -7.660191     -4.179211      2.708109
  C      -6.892440     -3.271916      1.877733
  O      -5.619406     -3.282095      1.890558
  C      -7.498291     -2.352412      0.897519
  F      -8.845969     -2.522401      0.744663
  S      -6.715601     -1.248690     -0.010269
  C      -2.597133     -4.230761      5.719691
  C      -1.294143     -3.940212      6.179701
  C      -1.085818     -3.170375      7.316399
  C      -2.173223     -2.671251      8.043068
  C      -3.461537     -2.996793      7.648077
  C      -3.708790     -3.795885      6.513828
  C      -5.062777     -4.215276      6.173346
  O      -5.411137     -4.521342      4.972665
  C      -6.096331     -4.417893      7.183480
  F      -7.327729     -4.538221      6.601939
  S      -5.969546     -4.618615      8.805865
  H      -0.682240     -3.202163      0.546585
  H       1.101063     -1.595917      0.957113
  H       0.913333      0.031308      2.864227
  H      -1.117430      0.037938      4.261073
  H      -7.441709     -7.337226      4.047347
  H      -9.750156     -6.814356      4.686979
  H     -10.734642     -4.575463      4.163916
  H      -9.415822     -2.930343      2.884709
  H      -0.434215     -4.256900      5.591624
  H      -0.065438     -2.924380      7.615218
  H      -2.013634     -2.026164      8.907060
  H      -4.311267     -2.612376      8.207030
  N      -7.451135     -5.299337     -0.748039
  N      -6.382920     -5.552478     -0.855337
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836391480536
  N      -2.930885     -3.501773      1.934587
  C      -2.960992     -4.216389      0.659131
  C      -2.432191     -5.611465      0.938378
  N      -3.199928     -6.153878      2.096396
  C      -4.224515     -7.131310      1.658915
  C      -5.356974     -7.103276      2.659202
  N      -5.754175     -5.706959      2.760251
  Mo     -4.249039     -4.290522      3.227058
  N      -2.795040     -4.873198      4.503985
  C      -1.691227     -5.657960      3.962979
  C      -2.298671     -6.753085      3.112363
  H      -1.095953     -6.116493      4.767271
  H      -1.012099     -5.021475      3.365482
  H      -2.900173     -7.407472      3.758070
  H      -1.528118     -7.366966      2.617242
  H      -6.191426     -7.719458      2.288996
  H      -5.045231     -7.527058      3.633202
  H      -4.606658     -6.804647      0.683815
  H      -3.778002     -8.133557      1.548748
  H      -2.391251     -3.704908     -0.126890
  H      -4.006000     -4.263797      0.316364
  H      -1.369140     -5.555535      1.207119
  H      -2.534908     -6.282272      0.072996
  C      -1.972070     -2.535670      2.164727
  C      -0.807449     -2.485071      1.355443
  C       0.214373     -1.583279      1.592264
  C       0.109756     -0.675095      2.655588
  C      -1.024315     -0.676710      3.446608
  C      -2.096375     -1.577810      3.238421
  C      -3.289792     -1.535035      4.053193
  O      -4.155911     -2.520267      3.993134
  C      -3.694603     -0.484121      4.960657
  F      -4.916012     -0.779847      5.517133
  S      -3.007677      0.938819      5.411878
  C      -7.061965     -5.435504      3.078584
  C      -7.872809     -6.381451      3.751393
  C      -9.170898     -6.080012      4.125052
  C      -9.728247     -4.825121      3.829054
  C      -8.985259     -3.901642      3.116154
  C      -7.661156     -4.179146      2.707577
  C      -6.893166     -3.271528      1.877807
  O      -5.620054     -3.280957      1.892266
  C      -7.498198     -2.352962      0.896424
  F      -8.845717     -2.523385      0.742553
  S      -6.714680     -1.251104     -0.013016
  C      -2.596928     -4.230215      5.719817
  C      -1.293866     -3.940265      6.180066
  C      -1.085348     -3.171119      7.317206
  C      -2.172618     -2.672047      8.044080
  C      -3.461023     -2.996966      7.648872
  C      -3.708501     -3.795427      6.514225
  C      -5.062525     -4.214258      6.173415
  O      -5.410997     -4.519796      4.972653
  C      -6.096442     -4.417194      7.183299
  F      -7.326814     -4.541948      6.600875
  S      -5.969396     -4.622374      8.805124
  H      -0.682064     -3.201842      0.546239
  H       1.102128     -1.597425      0.957713
  H       0.915761      0.029080      2.865508
  H      -1.115250      0.036803      4.262388
  H      -7.441729     -7.336809      4.047724
  H      -9.750785     -6.815305      4.685716
  H     -10.736374     -4.577109      4.161382
  H      -9.417798     -2.931493      2.882808
  H      -0.434009     -4.256750      5.591781
  H      -0.064857     -2.925681      7.616104
  H      -2.012908     -2.027432      8.908410
  H      -4.310729     -2.612599      8.207889
  N      -7.456791     -5.312957     -0.743600
  N      -6.386028     -5.555342     -0.849082
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836394242232
  N      -2.931208     -3.500855      1.934846
  C      -2.961552     -4.214694      0.658915
  C      -2.433043     -5.610128      0.937117
  N      -3.200022     -6.153029      2.095452
  C      -4.224294     -7.131040      1.658629
  C      -5.356604     -7.103095      2.659157
  N      -5.754347     -5.706912      2.759962
  Mo     -4.249903     -4.289680      3.226740
  N      -2.794913     -4.871848      4.503240
  C      -1.690963     -5.655795      3.961487
  C      -2.298147     -6.751407      3.111252
  H      -1.094678     -6.113903      4.765254
  H      -1.012848     -5.018807      3.363370
  H      -2.899090     -7.405965      3.757328
  H      -1.527366     -7.365031      2.616148
  H      -6.190883     -7.719677      2.289228
  H      -5.044488     -7.526587      3.633167
  H      -4.606689     -6.804958      0.683446
  H      -3.777460     -8.133197      1.548899
  H      -2.391684     -3.702521     -0.126626
  H      -4.006479     -4.261458      0.316024
  H      -1.369781     -5.554751      1.205098
  H      -2.536590     -6.280350      0.071396
  C      -1.971431     -2.535921      2.165597
  C      -0.806711     -2.486305      1.356439
  C       0.216159     -1.585898      1.593931
  C       0.112531     -0.678307      2.657853
  C      -1.021726     -0.678835      3.448621
  C      -2.095054     -1.578289      3.239561
  C      -3.288900     -1.534652      4.053877
  O      -4.155623     -2.519231      3.993668
  C      -3.693981     -0.483222      4.960725
  F      -4.913911     -0.780517      5.519509
  S      -3.007413      0.939946      5.411886
  C      -7.062318     -5.436019      3.078262
  C      -7.872746     -6.382216      3.751191
  C      -9.171222     -6.081570      4.124197
  C      -9.729343     -4.827209      3.827456
  C      -8.986601     -3.903402      3.114714
  C      -7.662088     -4.180094      2.706905
  C      -6.894097     -3.271462      1.878280
  O      -5.620904     -3.279817      1.894165
  C      -7.498667     -2.352837      0.896850
  F      -8.845769     -2.524921      0.740744
  S      -6.715253     -1.249181     -0.010522
  C      -2.596860     -4.229360      5.719252
  C      -1.293803     -3.939472      6.179676
  C      -1.085321     -3.170612      7.316992
  C      -2.172629     -2.671618      8.043909
  C      -3.461002     -2.996342      7.648520
  C      -3.708506     -3.794666      6.513745
  C      -5.062535     -4.213338      6.172909
  O      -5.410988     -4.518906      4.972070
  C      -6.096663     -4.416193      7.182586
  F      -7.327316     -4.538400      6.600177
  S      -5.970335     -4.619650      8.804681
  H      -0.682120     -3.202744      0.546779
  H       1.104035     -1.600767      0.959565
  H       0.919473      0.024619      2.868368
  H      -1.111773      0.034262      4.264795
  H      -7.441175     -7.337220      4.047953
  H      -9.750867     -6.817078      4.684828
  H     -10.737840     -4.579847      4.159146
  H      -9.419669     -2.933601      2.880903
  H      -0.433875     -4.255653      5.591341
  H      -0.064827     -2.925255      7.615935
  H      -2.012964     -2.027147      8.908362
  H      -4.310704     -2.611921      8.207494
  N      -7.464539     -5.326937     -0.741344
  N      -6.389806     -5.553337     -0.842913
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836395547456
  N      -2.931663     -3.500251      1.934663
  C      -2.962194     -4.213863      0.658508
  C      -2.433708     -5.609326      0.936456
  N      -3.200102     -6.152377      2.095125
  C      -4.224048     -7.130952      1.658843
  C      -5.356325     -7.102827      2.659423
  N      -5.754534     -5.706708      2.759507
  Mo     -4.250546     -4.289160      3.226357
  N      -2.794788     -4.870874      4.502633
  C      -1.690620     -5.654296      3.960672
  C      -2.297596     -6.750212      3.110644
  H      -1.093849     -6.112116      4.764228
  H      -1.012980     -5.017029      3.362293
  H      -2.897922     -7.405106      3.756974
  H      -1.526669     -7.363463      2.615297
  H      -6.190452     -7.719888      2.289971
  H      -5.043966     -7.525653      3.633652
  H      -4.606568     -6.805694      0.683419
  H      -3.776907     -8.133050      1.549848
  H      -2.392043     -3.701653     -0.126823
  H      -4.007019     -4.260019      0.315423
  H      -1.370289     -5.553806      1.203767
  H      -2.537626     -6.279758      0.070953
  C      -1.971235     -2.536065      2.165793
  C      -0.806315     -2.486941      1.356863
  C       0.217304     -1.587620      1.595180
  C       0.114393     -0.680738      2.659778
  C      -1.020067     -0.680681      3.450250
  C      -2.094298     -1.578842      3.240184
  C      -3.288408     -1.534511      4.054107
  O      -4.155737     -2.518499      3.993771
  C      -3.693060     -0.482720      4.960751
  F      -4.912478     -0.780075      5.520623
  S      -3.006103      0.940419      5.411404
  C      -7.062607     -5.436164      3.077938
  C      -7.872674     -6.382364      3.751250
  C      -9.171398     -6.082153      4.123801
  C      -9.730083     -4.828263      3.826257
  C      -8.987551     -3.904368      3.113368
  C      -7.662778     -4.180594      2.706160
  C      -6.894740     -3.271337      1.878234
  O      -5.621532     -3.278905      1.895171
  C      -7.499085     -2.352625      0.896856
  F      -8.845946     -2.525750      0.739431
  S      -6.715938     -1.247355     -0.008779
  C      -2.596841     -4.228517      5.718705
  C      -1.293841     -3.938265      6.179092
  C      -1.085501     -3.169628      7.316566
  C      -2.172909     -2.671217      8.043777
  C      -3.461196     -2.996273      7.648421
  C      -3.708556     -3.794340      6.513426
  C      -5.062490     -4.213272      6.172615
  O      -5.410890     -4.518706      4.971672
  C      -6.096551     -4.416480      7.182214
  F      -7.327344     -4.538152      6.599885
  S      -5.970183     -4.619721      8.804304
  H      -0.682160     -3.202934      0.546750
  H       1.105293     -1.602840      0.960980
  H       0.922031      0.021169      2.871006
  H      -1.109534      0.031927      4.266898
  H      -7.440690     -7.337034      4.048473
  H      -9.750854     -6.817648      4.684645
  H     -10.738842     -4.581316      4.157459
  H      -9.420989     -2.934871      2.878962
  H      -0.433822     -4.253972      5.590631
  H      -0.065051     -2.923968      7.615408
  H      -2.013388     -2.026937      8.908396
  H      -4.310954     -2.612297      8.207619
  N      -7.469855     -5.335561     -0.739799
  N      -6.392841     -5.551744     -0.839165
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836397309184
  N      -2.932572     -3.498938      1.934263
  C      -2.963548     -4.212362      0.657918
  C      -2.434743     -5.607677      0.935862
  N      -3.200306     -6.150991      2.094949
  C      -4.223867     -7.130213      1.659215
  C      -5.355978     -7.101913      2.659941
  N      -5.754823     -5.705873      2.759009
  Mo     -4.251360     -4.288211      3.226018
  N      -2.794677     -4.869725      4.501996
  C      -1.690185     -5.652549      3.959928
  C      -2.296873     -6.748561      3.109799
  H      -1.093142     -6.110259      4.763336
  H      -1.012756     -5.014986      3.361603
  H      -2.896280     -7.404265      3.756175
  H      -1.525765     -7.360993      2.613721
  H      -6.189949     -7.719630      2.291253
  H      -5.043188     -7.523795      3.634450
  H      -4.606573     -6.805958      0.683507
  H      -3.776332     -8.132222      1.551067
  H      -2.392979     -3.700398     -0.127297
  H      -4.008335     -4.257774      0.314742
  H      -1.371181     -5.551242      1.202433
  H      -2.538596     -6.278800      0.070891
  C      -1.971130     -2.535952      2.165908
  C      -0.806351     -2.487000      1.356741
  C       0.218537     -1.589497      1.596427
  C       0.117305     -0.684419      2.662727
  C      -1.017210     -0.683817      3.453131
  C      -2.092945     -1.579757      3.241349
  C      -3.287347     -1.534360      4.054805
  O      -4.155794     -2.517282      3.994216
  C      -3.691253     -0.481819      4.960937
  F      -4.910207     -0.778714      5.522077
  S      -3.004091      0.941863      5.409497
  C      -7.063081     -5.435873      3.077548
  C      -7.872553     -6.381950      3.751636
  C      -9.171728     -6.082399      4.123261
  C      -9.731325     -4.829365      3.824065
  C      -8.989123     -3.905474      3.110731
  C      -7.663910     -4.181014      2.704675
  C      -6.895560     -3.271063      1.877655
  O      -5.622378     -3.277224      1.896837
  C      -7.499267     -2.353089      0.895368
  F      -8.845678     -2.528112      0.735523
  S      -6.716237     -1.246340     -0.008568
  C      -2.596815     -4.227515      5.718166
  C      -1.293869     -3.936592      6.178288
  C      -1.085653     -3.168304      7.315998
  C      -2.173141     -2.670954      8.043845
  C      -3.461332     -2.996667      7.648738
  C      -3.708534     -3.794299      6.513408
  C      -5.062340     -4.213611      6.172608
  O      -5.410687     -4.518364      4.971433
  C      -6.096195     -4.417847      7.182107
  F      -7.327166     -4.538944      6.599942
  S      -5.969370     -4.622169      8.803989
  H      -0.683223     -3.201686      0.545319
  H       1.106341     -1.604831      0.961961
  H       0.926183      0.015673      2.875201
  H      -1.105478      0.027605      4.270916
  H      -7.439863     -7.335979      4.049879
  H      -9.750900     -6.817744      4.684597
  H     -10.740536     -4.583026      4.154345
  H      -9.423168     -2.936548      2.875100
  H      -0.433788     -4.251478      5.589472
  H      -0.065250     -2.922060      7.614518
  H      -2.013772     -2.026978      8.908710
  H      -4.311143     -2.613511      8.208420
  N      -7.478179     -5.351865     -0.734893
  N      -6.397501     -5.549146     -0.834229
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836398526401
  N      -2.933266     -3.497982      1.933841
  C      -2.964513     -4.211556      0.657507
  C      -2.435218     -5.606517      0.935839
  N      -3.200423     -6.149918      2.095163
  C      -4.223793     -7.129407      1.659479
  C      -5.355825     -7.100957      2.660220
  N      -5.754936     -5.704916      2.758560
  Mo     -4.251704     -4.287598      3.225938
  N      -2.794550     -4.869204      4.501737
  C      -1.689847     -5.651791      3.959767
  C      -2.296418     -6.747705      3.109431
  H      -1.092987     -6.109575      4.763275
  H      -1.012200     -5.014176      3.361742
  H      -2.895239     -7.404025      3.755719
  H      -1.525323     -7.359541      2.612614
  H      -6.189778     -7.718996      2.292032
  H      -5.042853     -7.522244      3.634934
  H      -4.606520     -6.805595      0.683620
  H      -3.776079     -8.131375      1.551718
  H      -2.393679     -3.700089     -0.127853
  H      -4.009280     -4.256533      0.314364
  H      -1.371661     -5.549042      1.202237
  H      -2.538529     -6.278406      0.071395
  C      -1.971349     -2.535615      2.165723
  C      -0.806880     -2.486278      1.356109
  C       0.218823     -1.589987      1.596800
  C       0.118954     -0.686603      2.664666
  C      -1.015450     -0.686015      3.455249
  C      -2.092204     -1.580396      3.242162
  C      -3.286703     -1.534400      4.055465
  O      -4.156010     -2.516522      3.994638
  C      -3.689919     -0.481439      4.961437
  F      -4.908703     -0.777807      5.523254
  S      -3.002608      0.942661      5.408363
  C      -7.063313     -5.435151      3.077264
  C      -7.872420     -6.380949      3.752063
  C      -9.171927     -6.081688      4.122903
  C      -9.732086     -4.829322      3.822187
  C      -8.990023     -3.905630      3.108351
  C      -7.664490     -4.180858      2.703359
  C      -6.895784     -3.270697      1.876784
  O      -5.622664     -3.275747      1.897820
  C      -7.499064     -2.353638      0.893500
  F      -8.845152     -2.530193      0.732088
  S      -6.716101     -1.246624     -0.010167
  C      -2.596711     -4.226963      5.717930
  C      -1.293794     -3.935362      6.177693
  C      -1.085667     -3.167319      7.315575
  C      -2.173212     -2.670957      8.044028
  C      -3.461333     -2.997338      7.649237
  C      -3.708397     -3.794620      6.513646
  C      -5.062086     -4.214390      6.172920
  O      -5.410421     -4.518505      4.971584
  C      -6.095617     -4.419605      7.182468
  F      -7.326724     -4.540740      6.600554
  S      -5.968070     -4.625295      8.804098
  H      -0.684575     -3.199746      0.543503
  H       1.106301     -1.605038      0.961868
  H       0.928696      0.012177      2.878146
  H      -1.102768      0.024280      4.274102
  H      -7.439287     -7.334495      4.051211
  H      -9.750981     -6.816780      4.684692
  H     -10.741638     -4.583287      4.151650
  H      -9.424458     -2.937167      2.871475
  H      -0.433716     -4.249539      5.588491
  H      -0.065314     -2.920494      7.613795
  H      -2.013943     -2.027239      8.909105
  H      -4.311183     -2.614975      8.209414
  N      -7.484431     -5.364595     -0.730400
  N      -6.401691     -5.548786     -0.830918
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836398993703
  N      -2.933940     -3.496213      1.933644
  C      -2.965914     -4.209495      0.657216
  C      -2.436076     -5.604281      0.935338
  N      -3.200772     -6.148153      2.094889
  C      -4.224021     -7.127753      1.659150
  C      -5.355560     -7.099566      2.660394
  N      -5.754909     -5.703554      2.758406
  Mo     -4.252014     -4.286317      3.226137
  N      -2.794662     -4.868804      4.501543
  C      -1.689757     -5.650911      3.959231
  C      -2.296141     -6.746458      3.108349
  H      -1.093070     -6.109070      4.762670
  H      -1.011985     -5.012922      3.361772
  H      -2.894318     -7.403626      3.754351
  H      -1.525067     -7.357516      2.610568
  H      -6.189648     -7.717847      2.292896
  H      -5.041991     -7.520583      3.635038
  H      -4.607196     -6.803727      0.683536
  H      -3.776124     -8.129580      1.550885
  H      -2.395223     -3.698257     -0.128404
  H      -4.010890     -4.254648      0.314409
  H      -1.372474     -5.546199      1.201464
  H      -2.539174     -6.276416      0.071052
  C      -1.971336     -2.534696      2.165883
  C      -0.807257     -2.484870      1.355706
  C       0.219536     -1.590185      1.597772
  C       0.121420     -0.689050      2.667720
  C      -1.012880     -0.688459      3.458480
  C      -2.090910     -1.580783      3.243585
  C      -3.285561     -1.533929      4.056498
  O      -4.155713     -2.515211      3.995584
  C      -3.687948     -0.480077      4.961803
  F      -4.906150     -0.775811      5.525206
  S      -3.000781      0.945227      5.404978
  C      -7.063506     -5.434196      3.077143
  C      -7.872052     -6.379524      3.753080
  C      -9.172099     -6.080720      4.122626
  C      -9.733127     -4.829405      3.819441
  C      -8.991290     -3.906106      3.104717
  C      -7.665258     -4.180901      2.701354
  C      -6.895971     -3.270565      1.875314
  O      -5.622931     -3.273621      1.899576
  C      -7.498369     -2.355753      0.889561
  F      -8.843768     -2.535385      0.724972
  S      -6.715411     -1.248476     -0.013770
  C      -2.596658     -4.226860      5.717930
  C      -1.293647     -3.935123      6.177344
  C      -1.085295     -3.167605      7.315524
  C      -2.172700     -2.671973      8.044670
  C      -3.460881     -2.998485      7.650167
  C      -3.708126     -3.795147      6.514194
  C      -5.061894     -4.214644      6.173447
  O      -5.410322     -4.517687      4.971889
  C      -6.095226     -4.420527      7.182967
  F      -7.326417     -4.541461      6.601165
  S      -5.967176     -4.628134      8.804315
  H      -0.686141     -3.196775      0.541566
  H       1.106605     -1.604838      0.962253
  H       0.932300      0.007967      2.882607
  H      -1.099049      0.020385      4.278719
  H      -7.438248     -7.332273      4.053811
  H      -9.750929     -6.815406      4.685175
  H     -10.743179     -4.583759      4.147667
  H      -9.426329     -2.938375      2.865930
  H      -0.433719     -4.248763      5.587644
  H      -0.064911     -2.920631      7.613519
  H      -2.013260     -2.028728      8.910061
  H      -4.310615     -2.616684      8.210909
  N      -7.494861     -5.390276     -0.720187
  N      -6.407747     -5.546633     -0.825882
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836400991765
  N      -2.933838     -3.496391      1.933468
  C      -2.965501     -4.210258      0.657331
  C      -2.435272     -5.604565      0.936189
  N      -3.200631     -6.148191      2.095553
  C      -4.224039     -7.127345      1.658974
  C      -5.355876     -7.098971      2.659813
  N      -5.754649     -5.702779      2.757741
  Mo     -4.251444     -4.286633      3.226466
  N      -2.794454     -4.869495      4.501885
  C      -1.689622     -5.652024      3.959907
  C      -2.296292     -6.747309      3.108904
  H      -1.093680     -6.110411      4.763795
  H      -1.011174     -5.014397      3.362873
  H      -2.894780     -7.404315      3.754764
  H      -1.525611     -7.358587      2.610817
  H      -6.190187     -7.716815      2.292046
  H      -5.042831     -7.520232      3.634522
  H      -4.606804     -6.802661      0.683424
  H      -3.776384     -8.129221      1.550286
  H      -2.394874     -3.699641     -0.128732
  H      -4.010429     -4.255262      0.314647
  H      -1.371925     -5.545996      1.203230
  H      -2.537419     -6.277099      0.072090
  C      -1.971910     -2.534255      2.165511
  C      -0.808282     -2.483224      1.354716
  C       0.218147     -1.588135      1.596698
  C       0.120168     -0.687708      2.667252
  C      -1.013778     -0.688109      3.458526
  C      -2.091533     -1.580772      3.243676
  C      -3.285964     -1.534406      4.057018
  O      -4.156239     -2.515640      3.995893
  C      -3.688246     -0.480859      4.962754
  F      -4.906723     -0.776487      5.525640
  S      -3.001191      0.944411      5.406136
  C      -7.063189     -5.432982      3.076786
  C      -7.871816     -6.377873      3.753126
  C      -9.171759     -6.078562      4.122747
  C      -9.732437     -4.827197      3.819260
  C      -8.990456     -3.904334      3.104055
  C      -7.664606     -4.179733      2.700611
  C      -6.894959     -3.269867      1.874275
  O      -5.622011     -3.272711      1.899157
  C      -7.497133     -2.356017      0.887424
  F      -8.842349     -2.536500      0.722090
  S      -6.714075     -1.249255     -0.016415
  C      -2.596414     -4.227311      5.718194
  C      -1.293404     -3.935107      6.177306
  C      -1.085148     -3.167499      7.315456
  C      -2.172614     -2.672266      8.044777
  C      -3.460760     -2.999227      7.650517
  C      -3.707895     -3.796027      6.514621
  C      -5.061607     -4.216023      6.174001
  O      -5.410039     -4.518978      4.972491
  C      -6.094639     -4.422471      7.183735
  F      -7.325884     -4.543724      6.602158
  S      -5.966058     -4.631078      8.804931
  H      -0.687317     -3.194653      0.540145
  H       1.104815     -1.601904      0.960595
  H       0.930831      0.009519      2.882266
  H      -1.099829      0.020234      4.279192
  H      -7.438201     -7.330646      4.054058
  H      -9.750701     -6.812928      4.685595
  H     -10.742353     -4.581102      4.147578
  H      -9.425243     -2.936559      2.865004
  H      -0.433549     -4.248469      5.587349
  H      -0.064838     -2.920111      7.613363
  H      -2.013215     -2.028976      8.910153
  H      -4.310510     -2.617690      8.211405
  N      -7.497358     -5.395496     -0.717377
  N      -6.410727     -5.549525     -0.825274
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836402177474
  N      -2.933500     -3.496263      1.933731
  C      -2.965182     -4.210021      0.657609
  C      -2.434978     -5.604409      0.936190
  N      -3.200550     -6.148136      2.095427
  C      -4.224099     -7.127014      1.658566
  C      -5.355964     -7.098712      2.659404
  N      -5.754362     -5.702440      2.757670
  Mo     -4.251043     -4.286500      3.226817
  N      -2.794268     -4.869678      4.502025
  C      -1.689577     -5.652304      3.959830
  C      -2.296440     -6.747486      3.108841
  H      -1.093666     -6.110782      4.763693
  H      -1.011165     -5.014666      3.362786
  H      -2.895241     -7.404196      3.754714
  H      -1.525943     -7.359085      2.610869
  H      -6.190439     -7.716201      2.291398
  H      -5.043070     -7.520432      3.633961
  H      -4.606860     -6.801703      0.683227
  H      -3.776568     -8.128873      1.549285
  H      -2.394949     -3.699206     -0.128614
  H      -4.010196     -4.255254      0.315130
  H      -1.371686     -5.546326      1.203524
  H      -2.537239     -6.276479      0.071744
  C      -1.971833     -2.533887      2.165723
  C      -0.808279     -2.482651      1.354820
  C       0.217956     -1.587301      1.596589
  C       0.119820     -0.686805      2.667072
  C      -1.014030     -0.687428      3.458480
  C      -2.091615     -1.580367      3.243853
  C      -3.285975     -1.534226      4.057341
  O      -4.156051     -2.515656      3.996328
  C      -3.688499     -0.480755      4.963085
  F      -4.906782     -0.776813      5.526122
  S      -3.001871      0.944748      5.406401
  C      -7.062931     -5.432471      3.076682
  C      -7.871710     -6.377188      3.753051
  C      -9.171815     -6.077827      4.122143
  C      -9.732500     -4.826634      3.817951
  C      -8.990298     -3.903961      3.102724
  C      -7.664228     -4.179368      2.700086
  C      -6.894402     -3.269577      1.873908
  O      -5.621484     -3.271958      1.899410
  C      -7.496621     -2.356031      0.886815
  F      -8.841629     -2.537624      0.720889
  S      -6.713784     -1.249281     -0.017197
  C      -2.596092     -4.227691      5.718425
  C      -1.293017     -3.935812      6.177567
  C      -1.084618     -3.168434      7.315852
  C      -2.172005     -2.673101      8.045223
  C      -3.460218     -2.999712      7.650895
  C      -3.707512     -3.796300      6.514875
  C      -5.061318     -4.216001      6.174266
  O      -5.409872     -4.519038      4.972825
  C      -6.094401     -4.422010      7.184077
  F      -7.325629     -4.543253      6.602485
  S      -5.965991     -4.630252      8.805359
  H      -0.687333     -3.194234      0.540377
  H       1.104575     -1.600913      0.960419
  H       0.930317      0.010651      2.881985
  H      -1.100126      0.020939      4.279113
  H      -7.438214     -7.329907      4.054338
  H      -9.750906     -6.812111      4.684943
  H     -10.742594     -4.580510      4.145692
  H      -9.425143     -2.936354      2.862959
  H      -0.433261     -4.249272      5.587521
  H      -0.064282     -2.921325      7.613901
  H      -2.012464     -2.030003      8.910720
  H      -4.309898     -2.618085      8.211838
  N      -7.501389     -5.404713     -0.713306
  N      -6.413773     -5.550162     -0.823287
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836404532188
  N      -2.932128     -3.495865      1.934698
  C      -2.963857     -4.209018      0.658547
  C      -2.433836     -5.603863      0.935939
  N      -3.200147     -6.148136      2.094597
  C      -4.224144     -7.126070      1.656758
  C      -5.356383     -7.097781      2.657311
  N      -5.753358     -5.701177      2.756517
  Mo     -4.249610     -4.286237      3.227765
  N      -2.793636     -4.870393      4.502250
  C      -1.689415     -5.653350      3.959350
  C      -2.296958     -6.748165      3.108395
  H      -1.093498     -6.112107      4.763042
  H      -1.011247     -5.015623      3.362186
  H      -2.897026     -7.403704      3.754307
  H      -1.527039     -7.361029      2.611087
  H      -6.191392     -7.713977      2.288309
  H      -5.044295     -7.521040      3.631452
  H      -4.606675     -6.798798      0.681978
  H      -3.777035     -8.127900      1.545762
  H      -2.395107     -3.697221     -0.128121
  H      -4.009189     -4.255382      0.316650
  H      -1.370697     -5.547647      1.204147
  H      -2.536725     -6.274131      0.070177
  C      -1.971405     -2.532613      2.166721
  C      -0.807869     -2.480676      1.355747
  C       0.217477     -1.584186      1.596859
  C       0.118311     -0.683176      2.666834
  C      -1.015333     -0.684684      3.458497
  C      -2.092031     -1.578933      3.244651
  C      -3.286122     -1.533804      4.058565
  O      -4.155367     -2.516031      3.997851
  C      -3.689320     -0.480883      4.964719
  F      -4.906856     -0.778508      5.528409
  S      -3.003633      0.944901      5.408666
  C      -7.061964     -5.430534      3.075527
  C      -7.871089     -6.374527      3.752370
  C      -9.171438     -6.074730      4.120466
  C      -9.731873     -4.823815      3.814661
  C      -8.989136     -3.901885      3.099016
  C      -7.662792     -4.177811      2.697646
  C      -6.892167     -3.268076      1.872148
  O      -5.619387     -3.268928      1.900039
  C      -7.493755     -2.356109      0.883067
  F      -8.837533     -2.542729      0.712177
  S      -6.711464     -1.246691     -0.017970
  C      -2.595147     -4.229229      5.719048
  C      -1.291912     -3.938287      6.178323
  C      -1.083154     -3.171461      7.316921
  C      -2.170358     -2.675581      8.046185
  C      -3.458754     -3.001132      7.651592
  C      -3.706478     -3.797492      6.515460
  C      -5.060541     -4.216348      6.174768
  O      -5.409307     -4.519909      4.973551
  C      -6.094046     -4.421112      7.184589
  F      -7.325154     -4.541534      6.602616
  S      -5.966878     -4.628399      8.806178
  H      -0.686664     -3.192972      0.541954
  H       1.104125     -1.597237      0.960736
  H       0.927979      0.015377      2.881341
  H      -1.101951      0.023945      4.278850
  H      -7.438017     -7.327133      4.054677
  H      -9.750816     -6.808584      4.683531
  H     -10.742155     -4.577232      4.141468
  H      -9.423832     -2.934505      2.858007
  H      -0.432432     -4.252068      5.588053
  H      -0.062767     -2.925112      7.615421
  H      -2.010439     -2.032790      8.911846
  H      -4.308224     -2.618899      8.212416
  N      -7.518715     -5.445135     -0.694954
  N      -6.426933     -5.550958     -0.813185
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836405859887
  N      -2.931322     -3.497317      1.934990
  C      -2.962470     -4.210689      0.658871
  C      -2.432995     -5.605707      0.936329
  N      -3.199722     -6.149599      2.094749
  C      -4.223880     -7.127367      1.656982
  C      -5.356656     -7.098589      2.656975
  N      -5.753269     -5.701891      2.756216
  Mo     -4.249104     -4.287233      3.227678
  N      -2.793293     -4.870722      4.502286
  C      -1.689276     -5.654178      3.959708
  C      -2.297105     -6.749226      3.109216
  H      -1.093202     -6.112656      4.763418
  H      -1.011212     -5.016776      3.362044
  H      -2.897780     -7.403974      3.755390
  H      -1.527212     -7.362847      2.612775
  H      -6.191602     -7.714515      2.287397
  H      -5.045224     -7.521989      3.631263
  H      -4.605917     -6.800404      0.681888
  H      -3.776997     -8.129369      1.546615
  H      -2.393648     -3.698664     -0.127588
  H      -4.007650     -4.256648      0.316771
  H      -1.369849     -5.550052      1.204599
  H      -2.536226     -6.275769      0.070454
  C      -1.971265     -2.533274      2.166746
  C      -0.807347     -2.481673      1.356312
  C       0.216891     -1.583604      1.596176
  C       0.115974     -0.680491      2.664211
  C      -1.017771     -0.682134      3.455693
  C      -2.093144     -1.578451      3.243548
  C      -3.287035     -1.534153      4.057845
  O      -4.155523     -2.517180      3.997269
  C      -3.690752     -0.482048      4.964688
  F      -4.908835     -0.780000      5.527059
  S      -3.004523      0.942431      5.412039
  C      -7.061694     -5.430805      3.075213
  C      -7.871358     -6.375030      3.751230
  C      -9.171349     -6.074809      4.120068
  C      -9.731097     -4.823156      3.815823
  C      -8.988048     -3.901034      3.100866
  C      -7.661991     -4.177342      2.698614
  C      -6.891659     -3.267687      1.872929
  O      -5.618871     -3.269912      1.898588
  C      -7.493978     -2.353914      0.885773
  F      -8.838017     -2.539400      0.716139
  S      -6.712036     -1.243401     -0.014168
  C      -2.594954     -4.229437      5.719031
  C      -1.291829     -3.938600      6.178625
  C      -1.083296     -3.171538      7.317122
  C      -2.170647     -2.675326      8.045960
  C      -3.458971     -3.000805      7.651086
  C      -3.706502     -3.797397      6.515070
  C      -5.060488     -4.216477      6.174377
  O      -5.409209     -4.520963      4.973345
  C      -6.094149     -4.420542      7.184229
  F      -7.325188     -4.541387      6.602152
  S      -5.967380     -4.626248      8.806035
  H      -0.685011     -3.195393      0.543929
  H       1.103936     -1.596902      0.960612
  H       0.924478      0.019819      2.877396
  H      -1.105570      0.027897      4.274717
  H      -7.438869     -7.328217      4.052508
  H      -9.750989     -6.808879      4.682582
  H     -10.741086     -4.576263      4.143300
  H      -9.422249     -2.933137      2.861010
  H      -0.432206     -4.252693      5.588717
  H      -0.062952     -2.925288      7.615840
  H      -2.010916     -2.032340      8.911518
  H      -4.308562     -2.618366      8.211590
  N      -7.514707     -5.435146     -0.697515
  N      -6.424358     -5.549954     -0.815755
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836407129457
  N      -2.931238     -3.497308      1.934937
  C      -2.962409     -4.210803      0.658826
  C      -2.432810     -5.605734      0.936569
  N      -3.199434     -6.149624      2.094932
  C      -4.223612     -7.127404      1.657270
  C      -5.356677     -7.098134      2.656893
  N      -5.753271     -5.701371      2.755604
  Mo     -4.248884     -4.287295      3.227586
  N      -2.792938     -4.870550      4.502170
  C      -1.688923     -5.654193      3.959888
  C      -2.296830     -6.749213      3.109402
  H      -1.092879     -6.112635      4.763628
  H      -1.010711     -5.016960      3.362179
  H      -2.897500     -7.403995      3.755555
  H      -1.526869     -7.362794      2.613005
  H      -6.191550     -7.714134      2.287270
  H      -5.045550     -7.521175      3.631437
  H      -4.605274     -6.801071      0.681794
  H      -3.776827     -8.129544      1.547724
  H      -2.393436     -3.698839     -0.127563
  H      -4.007569     -4.256738      0.316672
  H      -1.369638     -5.549454      1.204640
  H      -2.535785     -6.276225      0.070992
  C      -1.971177     -2.533254      2.166676
  C      -0.807330     -2.481595      1.356166
  C       0.216797     -1.583354      1.595876
  C       0.115788     -0.680068      2.663762
  C      -1.017880     -0.681822      3.455347
  C      -2.093073     -1.578426      3.243479
  C      -3.286810     -1.534328      4.057999
  O      -4.155381     -2.517314      3.997294
  C      -3.690410     -0.482531      4.965235
  F      -4.908886     -0.780215      5.526946
  S      -3.003787      0.941396      5.413725
  C      -7.061673     -5.430210      3.074559
  C      -7.871516     -6.374381      3.750448
  C      -9.171593     -6.074144      4.118940
  C      -9.731309     -4.822537      3.814441
  C      -8.988052     -3.900434      3.099683
  C      -7.661855     -4.176704      2.697917
  C      -6.891306     -3.266934      1.872577
  O      -5.618585     -3.269194      1.898350
  C      -7.493668     -2.352723      0.885793
  F      -8.837438     -2.539284      0.715007
  S      -6.712036     -1.240821     -0.012642
  C      -2.594749     -4.229336      5.718992
  C      -1.291706     -3.938225      6.178561
  C      -1.083318     -3.171274      7.317155
  C      -2.170759     -2.675511      8.046160
  C      -3.459014     -3.001322      7.651317
  C      -3.706372     -3.797739      6.515153
  C      -5.060200     -4.217172      6.174399
  O      -5.408797     -4.521667      4.973304
  C      -6.093841     -4.421565      7.184171
  F      -7.324882     -4.542560      6.602078
  S      -5.966935     -4.627644      8.805889
  H      -0.684870     -3.195290      0.543779
  H       1.103824     -1.596612      0.960278
  H       0.924158      0.020474      2.876692
  H      -1.105770      0.028315      4.274275
  H      -7.439109     -7.327561      4.051840
  H      -9.751399     -6.808152      4.681354
  H     -10.741443     -4.575722      4.141533
  H      -9.422198     -2.932560      2.859543
  H      -0.432004     -4.252013      5.588594
  H      -0.063006     -2.924765      7.615764
  H      -2.011188     -2.032620      8.911808
  H      -4.308693     -2.619285      8.211966
  N      -7.518924     -5.444755     -0.691540
  N      -6.427719     -5.548199     -0.812886
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836409142867
  N      -2.930671     -3.497330      1.934858
  C      -2.961938     -4.211089      0.658721
  C      -2.431887     -5.605785      0.937143
  N      -3.198401     -6.149807      2.095176
  C      -4.222754     -7.127352      1.657527
  C      -5.356699     -7.096786      2.656026
  N      -5.753175     -5.699836      2.753499
  Mo     -4.248031     -4.287489      3.227239
  N      -2.792053     -4.870259      4.501927
  C      -1.688078     -5.654350      3.960326
  C      -2.296082     -6.749356      3.109828
  H      -1.092110     -6.112710      4.764142
  H      -1.009505     -5.017541      3.362514
  H      -2.896897     -7.404154      3.755837
  H      -1.525855     -7.362869      2.613711
  H      -6.191350     -7.712869      2.286004
  H      -5.046572     -7.519087      3.631210
  H      -4.603179     -6.802415      0.681054
  H      -3.776497     -8.129966      1.549990
  H      -2.392741     -3.699070     -0.127458
  H      -4.007159     -4.257471      0.316611
  H      -1.368707     -5.547937      1.204958
  H      -2.533947     -6.277130      0.072106
  C      -1.970820     -2.532964      2.166432
  C      -0.807200     -2.481026      1.355693
  C       0.216407     -1.581982      1.594755
  C       0.114910     -0.678018      2.662025
  C      -1.018466     -0.680305      3.454016
  C      -2.092886     -1.578084      3.243193
  C      -3.286047     -1.534893      4.058555
  O      -4.154675     -2.517872      3.997300
  C      -3.689127     -0.484527      4.967644
  F      -4.908938     -0.781447      5.526976
  S      -3.000818      0.937083      5.420880
  C      -7.061476     -5.428432      3.072276
  C      -7.871922     -6.372476      3.747676
  C      -9.172038     -6.071946      4.115671
  C      -9.731343     -4.820128      3.811204
  C      -8.987474     -3.898079      3.097050
  C      -7.661186     -4.174619      2.695797
  C      -6.889953     -3.264644      1.871334
  O      -5.617397     -3.267276      1.897232
  C      -7.492083     -2.349463      0.885048
  F      -8.834845     -2.539644      0.709729
  S      -6.711140     -1.232787     -0.007832
  C      -2.594409     -4.229406      5.719025
  C      -1.291596     -3.937736      6.178712
  C      -1.083651     -3.171006      7.317529
  C      -2.171377     -2.676046      8.046624
  C      -3.459443     -3.002486      7.651650
  C      -3.706314     -3.798724      6.515259
  C      -5.059724     -4.218964      6.174138
  O      -5.407716     -4.523560      4.972814
  C      -6.093624     -4.424174      7.183421
  F      -7.324501     -4.545256      6.600906
  S      -5.966967     -4.631342      8.804971
  H      -0.684219     -3.194796      0.543454
  H       1.103373     -1.595066      0.959060
  H       0.922697      0.023474      2.874040
  H      -1.106815      0.030216      4.272600
  H      -7.439922     -7.325826      4.049086
  H      -9.752330     -6.805805      4.677777
  H     -10.741603     -4.573237      4.137843
  H      -9.421137     -2.929968      2.856956
  H      -0.431650     -4.250840      5.588718
  H      -0.063425     -2.923988      7.616011
  H      -2.012270     -2.033235      8.912399
  H      -4.309379     -2.621112      8.212352
  N      -7.532639     -5.477790     -0.670116
  N      -6.439267     -5.543967     -0.801666
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836409710804
  N      -2.930586     -3.497796      1.934710
  C      -2.961674     -4.211842      0.658565
  C      -2.431626     -5.606373      0.937366
  N      -3.198227     -6.150140      2.095385
  C      -4.222621     -7.127658      1.657781
  C      -5.356619     -7.097009      2.656174
  N      -5.753298     -5.700116      2.753553
  Mo     -4.248041     -4.287704      3.226990
  N      -2.792148     -4.870296      4.501998
  C      -1.688125     -5.654446      3.960640
  C      -2.295972     -6.749577      3.110159
  H      -1.092255     -6.112747      4.764570
  H      -1.009398     -5.017767      3.362857
  H      -2.896694     -7.404493      3.756126
  H      -1.525589     -7.362934      2.614087
  H      -6.191134     -7.713274      2.286150
  H      -5.046516     -7.519093      3.631456
  H      -4.602851     -6.803020      0.681138
  H      -3.776519     -8.130392      1.550617
  H      -2.392093     -3.700043     -0.127466
  H      -4.006830     -4.257725      0.316438
  H      -1.368472     -5.548162      1.205234
  H      -2.533331     -6.278076      0.072561
  C      -1.970824     -2.533257      2.166081
  C      -0.807231     -2.481377      1.355336
  C       0.216184     -1.582003      1.594050
  C       0.114468     -0.677602      2.660906
  C      -1.018859     -0.679913      3.452979
  C      -2.092994     -1.578152      3.242651
  C      -3.286060     -1.535105      4.058211
  O      -4.154713     -2.518077      3.996734
  C      -3.688972     -0.485107      4.967775
  F      -4.909376     -0.781553      5.526107
  S      -2.999866      0.935573      5.422719
  C      -7.061527     -5.428730      3.072274
  C      -7.872143     -6.373015      3.747205
  C      -9.172051     -6.072342      4.115727
  C      -9.731073     -4.820124      3.812307
  C      -8.987177     -3.897864      3.098496
  C      -7.661115     -4.174546      2.696537
  C      -6.890100     -3.264747      1.871741
  O      -5.617514     -3.268254      1.896361
  C      -7.492508     -2.348925      0.886167
  F      -8.835564     -2.537928      0.712021
  S      -6.711497     -1.232495     -0.006968
  C      -2.594690     -4.229285      5.719028
  C      -1.291945     -3.937540      6.178886
  C      -1.084181     -3.170678      7.317656
  C      -2.172011     -2.675676      8.046563
  C      -3.460009     -3.002208      7.651448
  C      -3.706709     -3.798542      6.515090
  C      -5.060063     -4.218899      6.173836
  O      -5.407856     -4.523469      4.972437
  C      -6.094027     -4.424259      7.182988
  F      -7.324836     -4.545542      6.600381
  S      -5.967371     -4.631434      8.804535
  H      -0.683992     -3.195324      0.543295
  H       1.103136     -1.595155      0.958340
  H       0.922042      0.024256      2.872522
  H      -1.107428      0.030910      4.271285
  H      -7.440308     -7.326639      4.047980
  H      -9.752419     -6.806366      4.677543
  H     -10.741132     -4.573146      4.139496
  H      -9.420595     -2.929453      2.859214
  H      -0.431878     -4.250675      5.589084
  H      -0.063982     -2.923620      7.616196
  H      -2.013070     -2.032767      8.912299
  H      -4.310040     -2.620818      8.211996
  N      -7.529321     -5.470913     -0.671532
  N      -6.436898     -5.543362     -0.803902
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836410226074
  N      -2.930130     -3.497804      1.934791
  C      -2.961190     -4.211870      0.658592
  C      -2.431091     -5.606348      0.937433
  N      -3.197918     -6.150118      2.095326
  C      -4.222416     -7.127400      1.657490
  C      -5.356489     -7.096756      2.655791
  N      -5.753096     -5.699848      2.753265
  Mo     -4.247696     -4.287535      3.226957
  N      -2.792098     -4.870365      4.502161
  C      -1.688097     -5.654486      3.960742
  C      -2.295860     -6.749644      3.110213
  H      -1.092313     -6.112842      4.764716
  H      -1.009321     -5.017806      3.363034
  H      -2.896671     -7.404534      3.756119
  H      -1.525446     -7.363018      2.614211
  H      -6.191006     -7.712953      2.285636
  H      -5.046497     -7.518961      3.631051
  H      -4.602459     -6.802480      0.680871
  H      -3.776567     -8.130229      1.550122
  H      -2.391609     -3.700042     -0.127404
  H      -4.006369     -4.257895      0.316579
  H      -1.368006     -5.548264      1.205593
  H      -2.532556     -6.277925      0.072496
  C      -1.970599     -2.532969      2.165955
  C      -0.807185     -2.480826      1.354977
  C       0.215970     -1.581040      1.593280
  C       0.114120     -0.676429      2.659930
  C      -1.018991     -0.679062      3.452314
  C      -2.092789     -1.577832      3.242522
  C      -3.285650     -1.535098      4.058418
  O      -4.154322     -2.518037      3.996613
  C      -3.688336     -0.485596      4.968661
  F      -4.909139     -0.781818      5.526239
  S      -2.998374      0.934052      5.425541
  C      -7.061299     -5.428380      3.071864
  C      -7.872210     -6.372672      3.746444
  C      -9.172107     -6.071794      4.114846
  C      -9.730871     -4.819402      3.811610
  C      -8.986723     -3.897169      3.098045
  C      -7.660661     -4.174051      2.696231
  C      -6.889548     -3.264423      1.871419
  O      -5.616951     -3.268127      1.895817
  C      -7.491987     -2.348552      0.885875
  F      -8.834907     -2.538200      0.711231
  S      -6.711134     -1.231629     -0.006738
  C      -2.594765     -4.229524      5.719280
  C      -1.292027     -3.938027      6.179387
  C      -1.084337     -3.171389      7.318322
  C      -2.172219     -2.676369      8.047140
  C      -3.460195     -3.002629      7.651758
  C      -3.706846     -3.798719      6.515210
  C      -5.060212     -4.218824      6.173687
  O      -5.407771     -4.523247      4.972174
  C      -6.094399     -4.424021      7.182613
  F      -7.325069     -4.545371      6.599737
  S      -5.968124     -4.631022      8.804238
  H      -0.683869     -3.194879      0.543039
  H       1.102773     -1.594009      0.957363
  H       0.921425      0.025850      2.871170
  H      -1.107691      0.031883      4.270511
  H      -7.440622     -7.326454      4.047079
  H      -9.752702     -6.805837      4.676405
  H     -10.740919     -4.572299      4.138733
  H      -9.419924     -2.928641      2.858815
  H      -0.431916     -4.251167      5.589656
  H      -0.064150     -2.924556      7.617090
  H      -2.013327     -2.033640      8.913021
  H      -4.310257     -2.621193      8.212229
  N      -7.533796     -5.480478     -0.665569
  N      -6.441178     -5.544083     -0.800805
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836412384749
  N      -2.928726     -3.496962      1.934915
  C      -2.960077     -4.210814      0.658477
  C      -2.429570     -5.605122      0.937307
  N      -3.196985     -6.149169      2.094840
  C      -4.221661     -7.125797      1.656147
  C      -5.355755     -7.095617      2.654421
  N      -5.752354     -5.698737      2.752364
  Mo     -4.246766     -4.286305      3.226656
  N      -2.792186     -4.870403      4.502715
  C      -1.688110     -5.654103      3.960946
  C      -2.295356     -6.749156      3.109855
  H      -1.092700     -6.112843      4.765027
  H      -1.009137     -5.017173      3.363786
  H      -2.896241     -7.404372      3.755330
  H      -1.524764     -7.362200      2.613754
  H      -6.190253     -7.711753      2.284064
  H      -5.045753     -7.518227      3.629489
  H      -4.601390     -6.799660      0.679806
  H      -3.776438     -8.128792      1.547631
  H      -2.390608     -3.698925     -0.127494
  H      -4.005400     -4.257687      0.316932
  H      -1.366727     -5.547334      1.206466
  H      -2.530147     -6.276286      0.071924
  C      -1.969628     -2.531501      2.165503
  C      -0.806984     -2.478348      1.353463
  C       0.215824     -1.577917      1.590875
  C       0.114399     -0.673555      2.657721
  C      -1.017811     -0.677295      3.451392
  C      -2.091144     -1.576876      3.242719
  C      -3.283274     -1.534985      4.059768
  O      -4.152617     -2.517194      3.996287
  C      -3.684690     -0.487418      4.972856
  F      -4.907085     -0.782523      5.527501
  S      -2.991503      0.928416      5.436670
  C      -7.060564     -5.427214      3.070319
  C      -7.872399     -6.371521      3.743764
  C      -9.172414     -6.070107      4.111351
  C      -9.730458     -4.817315      3.808320
  C      -8.985474     -3.895168      3.095542
  C      -7.659278     -4.172604      2.694577
  C      -6.887695     -3.263532      1.869809
  O      -5.615017     -3.267431      1.894283
  C      -7.489825     -2.348197      0.883579
  F      -8.832164     -2.540409      0.706597
  S      -6.709310     -1.229961     -0.007567
  C      -2.595282     -4.230212      5.720161
  C      -1.292544     -3.939513      6.181062
  C      -1.085053     -3.173551      7.320465
  C      -2.173080     -2.678347      8.048948
  C      -3.460999     -3.003676      7.652719
  C      -3.707526     -3.799139      6.515673
  C      -5.060963     -4.218231      6.173072
  O      -5.407557     -4.521610      4.971005
  C      -6.096001     -4.423429      7.180998
  F      -7.326166     -4.544436      6.597041
  S      -5.971268     -4.630577      8.802828
  H      -0.683895     -3.192160      0.541299
  H       1.101911     -1.590205      0.953953
  H       0.921315      0.029401      2.868215
  H      -1.106286      0.033324      4.269916
  H      -7.441506     -7.325672      4.044242
  H      -9.753774     -6.804194      4.672071
  H     -10.740590     -4.569907      4.134941
  H      -9.418051     -2.926371      2.856175
  H      -0.432313     -4.252647      5.591523
  H      -0.064905     -2.927386      7.619914
  H      -2.014294     -2.036090      8.915198
  H      -4.311127     -2.621909      8.212852
  N      -7.553918     -5.521439     -0.640617
  N      -6.460624     -5.548757     -0.785175
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836413252900
  N      -2.928385     -3.496605      1.934856
  C      -2.959702     -4.210382      0.658356
  C      -2.429275     -5.604677      0.937113
  N      -3.196913     -6.148680      2.094604
  C      -4.221524     -7.125275      1.655697
  C      -5.355421     -7.095629      2.654228
  N      -5.752134     -5.698846      2.752644
  Mo     -4.246781     -4.285747      3.226431
  N      -2.792481     -4.870325      4.502852
  C      -1.688314     -5.653814      3.960986
  C      -2.295334     -6.748781      3.109628
  H      -1.093056     -6.112709      4.765102
  H      -1.009287     -5.016722      3.364075
  H      -2.896201     -7.404168      3.754938
  H      -1.524693     -7.361684      2.613444
  H      -6.189913     -7.711807      2.283939
  H      -5.045114     -7.518468      3.629100
  H      -4.601511     -6.798571      0.679642
  H      -3.776216     -8.128152      1.546456
  H      -2.390155     -3.698605     -0.127619
  H      -4.004988     -4.256945      0.316835
  H      -1.366507     -5.547195      1.206606
  H      -2.529778     -6.275706      0.071614
  C      -1.969278     -2.531164      2.165368
  C      -0.806809     -2.477848      1.353066
  C       0.216054     -1.577455      1.590327
  C       0.114904     -0.673256      2.657324
  C      -1.017080     -0.677160      3.451312
  C      -2.090486     -1.576709      3.242809
  C      -3.282512     -1.534824      4.060038
  O      -4.152290     -2.516614      3.995927
  C      -3.683442     -0.487695      4.973882
  F      -4.906376     -0.782230      5.527621
  S      -2.989035      0.926860      5.439770
  C      -7.060380     -5.427380      3.070338
  C      -7.872361     -6.371784      3.743481
  C      -9.172364     -6.070294      4.111035
  C      -9.730254     -4.817367      3.808270
  C      -8.985189     -3.895168      3.095657
  C      -7.659016     -4.172697      2.694635
  C      -6.887526     -3.263883      1.869558
  O      -5.614768     -3.267930      1.893787
  C      -7.489601     -2.348944      0.883007
  F      -8.832102     -2.540641      0.706673
  S      -6.708943     -1.231620     -0.009198
  C      -2.595642     -4.230183      5.720320
  C      -1.292907     -3.939788      6.181519
  C      -1.085473     -3.174044      7.321076
  C      -2.173535     -2.678773      8.049484
  C      -3.461438     -3.003759      7.652952
  C      -3.707929     -3.798908      6.515683
  C      -5.061463     -4.217503      6.172742
  O      -5.407884     -4.520380      4.970509
  C      -6.096700     -4.422624      7.180430
  F      -7.326737     -4.543676      6.596233
  S      -5.972335     -4.629550      8.802343
  H      -0.683902     -3.191574      0.540800
  H       1.101934     -1.589648      0.953114
  H       0.921834      0.029712      2.867726
  H      -1.105332      0.033312      4.269984
  H      -7.441570     -7.326027      4.043816
  H      -9.753827     -6.804457      4.671548
  H     -10.740344     -4.569900      4.134973
  H      -9.417665     -2.926292      2.856439
  H      -0.432636     -4.253029      5.592101
  H      -0.065342     -2.928133      7.620796
  H      -2.014754     -2.036728      8.915901
  H      -4.311588     -2.621929      8.213019
  N      -7.557943     -5.526318     -0.637629
  N      -6.464993     -5.551335     -0.782925
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836413989451
  N      -2.927547     -3.495584      1.934683
  C      -2.958925     -4.209210      0.658134
  C      -2.428468     -5.603482      0.936984
  N      -3.196450     -6.147587      2.094224
  C      -4.220928     -7.124110      1.654874
  C      -5.354814     -7.095048      2.653463
  N      -5.751611     -5.698349      2.752385
  Mo     -4.246460     -4.284698      3.225881
  N      -2.792681     -4.870058      4.502968
  C      -1.688356     -5.653409      3.961277
  C      -2.295087     -6.748016      3.109278
  H      -1.093462     -6.112653      4.765463
  H      -1.009019     -5.016163      3.364867
  H      -2.896089     -7.403715      3.754146
  H      -1.524306     -7.360689      2.613039
  H      -6.189250     -7.711244      2.283103
  H      -5.044339     -7.518127      3.628179
  H      -4.601044     -6.796869      0.679017
  H      -3.775442     -8.126834      1.544991
  H      -2.389325     -3.697580     -0.127887
  H      -4.004172     -4.255847      0.316514
  H      -1.365824     -5.545877      1.206932
  H      -2.528594     -6.274605      0.071511
  C      -1.968401     -2.530219      2.165158
  C      -0.806353     -2.476424      1.352250
  C       0.216497     -1.575946      1.589153
  C       0.115780     -0.671995      2.656404
  C      -1.015658     -0.676463      3.451142
  C      -2.088985     -1.576256      3.243171
  C      -3.280574     -1.534739      4.060993
  O      -4.151306     -2.515629      3.995400
  C      -3.680331     -0.489010      4.977021
  F      -4.904769     -0.782123      5.528197
  S      -2.982969      0.922193      5.448597
  C      -7.059921     -5.426865      3.069448
  C      -7.872368     -6.371283      3.742024
  C      -9.172487     -6.069628      4.108985
  C      -9.730051     -4.816566      3.806160
  C      -8.984569     -3.894393      3.093974
  C      -7.658253     -4.172091      2.693482
  C      -6.886536     -3.263642      1.868276
  O      -5.613705     -3.267784      1.892661
  C      -7.488264     -2.349362      0.880999
  F      -8.830616     -2.541671      0.703860
  S      -6.707566     -1.232047     -0.011196
  C      -2.596104     -4.230160      5.720600
  C      -1.293460     -3.940041      6.182260
  C      -1.086227     -3.174742      7.322135
  C      -2.174412     -2.679682      8.050520
  C      -3.462244     -3.004370      7.653517
  C      -3.708525     -3.798931      6.515809
  C      -5.062063     -4.216948      6.172131
  O      -5.408018     -4.518866      4.969526
  C      -6.097718     -4.422417      7.179234
  F      -7.327512     -4.543352      6.594475
  S      -5.974096     -4.629691      8.801174
  H      -0.683698     -3.189864      0.539700
  H       1.101961     -1.587832      0.951353
  H       0.922576      0.031246      2.866413
  H      -1.103570      0.033731      4.270106
  H      -7.441839     -7.325619      4.042444
  H      -9.754327     -6.803783      4.669114
  H     -10.740247     -4.569023      4.132478
  H      -9.416790     -2.925439      2.854609
  H      -0.433071     -4.253214      5.592976
  H      -0.066155     -2.928989      7.622189
  H      -2.015758     -2.037996      8.917225
  H      -4.312501     -2.622701      8.213536
  N      -7.572989     -5.550550     -0.622356
  N      -6.480324     -5.555897     -0.772184
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836415920695
  N      -2.926267     -3.493574      1.934410
  C      -2.957634     -4.206841      0.657862
  C      -2.427442     -5.601281      0.936676
  N      -3.195950     -6.145591      2.093449
  C      -4.220089     -7.122182      1.653363
  C      -5.354006     -7.094184      2.652026
  N      -5.750698     -5.697602      2.752099
  Mo     -4.246098     -4.283081      3.224933
  N      -2.792952     -4.869491      4.502766
  C      -1.688420     -5.652943      3.961621
  C      -2.295015     -6.746692      3.108522
  H      -1.094090     -6.112788      4.765847
  H      -1.008507     -5.015539      3.365966
  H      -2.896496     -7.402690      3.752657
  H      -1.524144     -7.359275      2.612309
  H      -6.188454     -7.710124      2.281336
  H      -5.043382     -7.517940      3.626407
  H      -4.600632     -6.794225      0.677846
  H      -3.773836     -8.124445      1.542568
  H      -2.388091     -3.695371     -0.128321
  H      -4.002723     -4.253377      0.315624
  H      -1.364917     -5.543386      1.207030
  H      -2.527422     -6.272595      0.071349
  C      -1.966800     -2.528775      2.165404
  C      -0.805098     -2.474484      1.351936
  C       0.217870     -1.574180      1.588715
  C       0.117643     -0.670622      2.656389
  C      -1.013180     -0.675774      3.451927
  C      -2.086523     -1.575726      3.244408
  C      -3.277547     -1.534727      4.062870
  O      -4.150011     -2.514017      3.994808
  C      -3.675427     -0.491280      4.982436
  F      -4.902451     -0.781863      5.529223
  S      -2.973319      0.914410      5.463266
  C      -7.059179     -5.426017      3.068124
  C      -7.872146     -6.370364      3.740157
  C      -9.172620     -6.068757      4.105837
  C      -9.729973     -4.815804      3.802177
  C      -8.983930     -3.893736      3.090461
  C      -7.657193     -4.171384      2.691253
  C      -6.885050     -3.263352      1.865967
  O      -5.612137     -3.267158      1.891346
  C      -7.486101     -2.350527      0.877170
  F      -8.828234     -2.543670      0.698747
  S      -6.705241     -1.233680     -0.015573
  C      -2.596608     -4.229827      5.720613
  C      -1.294124     -3.939766      6.182617
  C      -1.087102     -3.174813      7.322741
  C      -2.175401     -2.680088      8.051190
  C      -3.463157     -3.004709      7.653826
  C      -3.709174     -3.798752      6.515742
  C      -5.062699     -4.216160      6.171236
  O      -5.408341     -4.516784      4.968237
  C      -6.098732     -4.422479      7.177754
  F      -7.328381     -4.542732      6.592442
  S      -5.975888     -4.630981      8.799561
  H      -0.682823     -3.187437      0.538913
  H       1.102965     -1.585762      0.950391
  H       0.924286      0.032902      2.866042
  H      -1.100564      0.033958      4.271373
  H      -7.441758     -7.324589      4.041156
  H      -9.754920     -6.802811      4.665613
  H     -10.740530     -4.568334      4.127441
  H      -9.416049     -2.924919      2.850341
  H      -0.433623     -4.252836      5.593426
  H      -0.067116     -2.928920      7.622973
  H      -2.016870     -2.038640      8.918081
  H      -4.313536     -2.623282      8.213812
  N      -7.599238     -5.587929     -0.598317
  N      -6.507415     -5.564433     -0.753430
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836416343514
  N      -2.926224     -3.492705      1.934266
  C      -2.957271     -4.205879      0.657774
  C      -2.427648     -5.600520      0.936328
  N      -3.196235     -6.144741      2.093016
  C      -4.220140     -7.121612      1.652820
  C      -5.353910     -7.094174      2.651692
  N      -5.750443     -5.697667      2.752501
  Mo     -4.246458     -4.282594      3.224594
  N      -2.793095     -4.868984      4.502133
  C      -1.688522     -5.652712      3.961348
  C      -2.295357     -6.746074      3.108001
  H      -1.094276     -6.112678      4.765531
  H      -1.008442     -5.015327      3.365812
  H      -2.897063     -7.402010      3.752006
  H      -1.524599     -7.358833      2.611821
  H      -6.188478     -7.709831      2.280847
  H      -5.043153     -7.518403      3.625832
  H      -4.601207     -6.793587      0.677508
  H      -3.773141     -8.123500      1.541790
  H      -2.387620     -3.694502     -0.128443
  H      -4.002148     -4.251127      0.314892
  H      -1.365051     -5.542594      1.206399
  H      -2.528158     -6.271950      0.071175
  C      -1.966252     -2.528732      2.166102
  C      -0.804206     -2.474835      1.353044
  C       0.219162     -1.575220      1.590489
  C       0.119003     -0.671883      2.658403
  C      -1.012098     -0.676651      3.453512
  C      -2.085892     -1.575977      3.245378
  C      -3.277179     -1.534613      4.063380
  O      -4.150357     -2.513304      3.994812
  C      -3.674766     -0.491210      4.983177
  F      -4.902408     -0.780924      5.529050
  S      -2.971770      0.913613      5.465187
  C      -7.059083     -5.426133      3.068353
  C      -7.871636     -6.370435      3.740900
  C      -9.172340     -6.069341      4.106209
  C      -9.730206     -4.816854      3.801638
  C      -8.984445     -3.894802      3.089580
  C      -7.657477     -4.171947      2.690797
  C      -6.885392     -3.263797      1.865453
  O      -5.612490     -3.266898      1.891875
  C      -7.486195     -2.351981      0.875768
  F      -8.828441     -2.544657      0.697667
  S      -6.705116     -1.236301     -0.018394
  C      -2.596557     -4.229157      5.719969
  C      -1.294127     -3.938820      6.181736
  C      -1.087047     -3.173802      7.321825
  C      -2.175284     -2.679349      8.050539
  C      -3.463060     -3.004270      7.653404
  C      -3.709092     -3.798249      6.515309
  C      -5.062689     -4.215637      6.171014
  O      -5.408911     -4.516104      4.968175
  C      -6.098395     -4.422173      7.177920
  F      -7.328325     -4.541993      6.593029
  S      -5.974980     -4.631384      8.799519
  H      -0.682146     -3.187578      0.539805
  H       1.104544     -1.587082      0.952564
  H       0.925908      0.031205      2.868498
  H      -1.099235      0.032923      4.273107
  H      -7.440746     -7.324253      4.042490
  H      -9.754356     -6.803327      4.666363
  H     -10.740994     -4.569709      4.126448
  H      -9.417041     -2.926356      2.848850
  H      -0.433665     -4.251832      5.592445
  H      -0.067071     -2.927607      7.621837
  H      -2.016712     -2.037886      8.917415
  H      -4.313426     -2.623110      8.213593
  N      -7.605287     -5.589476     -0.597644
  N      -6.513792     -5.566913     -0.751068
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836417370036
  N      -2.925621     -3.491965      1.934245
  C      -2.956539     -4.205020      0.657742
  C      -2.427017     -5.599739      0.936205
  N      -3.195970     -6.144108      2.092616
  C      -4.219937     -7.120688      1.651855
  C      -5.353723     -7.093518      2.650706
  N      -5.749933     -5.696968      2.752074
  Mo     -4.246037     -4.282122      3.224417
  N      -2.793065     -4.868796      4.501915
  C      -1.688535     -5.652683      3.961186
  C      -2.295448     -6.745862      3.107660
  H      -1.094490     -6.112801      4.765437
  H      -1.008266     -5.015326      3.365854
  H      -2.897419     -7.401694      3.751514
  H      -1.524763     -7.358755      2.611533
  H      -6.188450     -7.708761      2.279498
  H      -5.043158     -7.518341      3.624642
  H      -4.600963     -6.792104      0.676716
  H      -3.772976     -8.122538      1.540349
  H      -2.386939     -3.693520     -0.128442
  H      -4.001386     -4.250545      0.314469
  H      -1.364483     -5.541950      1.206551
  H      -2.527407     -6.270931      0.070855
  C      -1.965688     -2.528041      2.166385
  C      -0.803686     -2.473894      1.353251
  C       0.219641     -1.574269      1.590793
  C       0.119438     -0.671106      2.658855
  C      -1.011580     -0.676142      3.454072
  C      -2.085284     -1.575581      3.245951
  C      -3.276487     -1.534490      4.064050
  O      -4.149925     -2.512883      3.994843
  C      -3.673877     -0.491683      4.984658
  F      -4.902188     -0.780946      5.529254
  S      -2.969884      0.911772      5.469190
  C      -7.058655     -5.425376      3.067779
  C      -7.871230     -6.369481      3.740495
  C      -9.172145     -6.068448      4.105205
  C      -9.730100     -4.816205      3.799781
  C      -8.984190     -3.894363      3.087570
  C      -7.657028     -4.171483      2.689524
  C      -6.884639     -3.263450      1.864270
  O      -5.611771     -3.265931      1.891787
  C      -7.485168     -2.352543      0.873642
  F      -8.827018     -2.546886      0.694010
  S      -6.704254     -1.236379     -0.020068
  C      -2.596561     -4.229257      5.719950
  C      -1.294115     -3.939176      6.181800
  C      -1.086980     -3.174505      7.322121
  C      -2.175180     -2.680206      8.050954
  C      -3.462983     -3.004864      7.653688
  C      -3.709062     -3.798414      6.515300
  C      -5.062690     -4.215427      6.170831
  O      -5.409000     -4.515694      4.967999
  C      -6.098473     -4.421709      7.177766
  F      -7.328430     -4.541152      6.592838
  S      -5.975093     -4.631337      8.799310
  H      -0.681767     -3.186466      0.539847
  H       1.105020     -1.585944      0.952863
  H       0.926258      0.032074      2.868971
  H      -1.098709      0.033252      4.273830
  H      -7.440263     -7.323111      4.042592
  H      -9.754260     -6.802283      4.665452
  H     -10.741082     -4.569074      4.123997
  H      -9.416869     -2.926117      2.846135
  H      -0.433686     -4.252090      5.592410
  H      -0.066994     -2.928519      7.622262
  H      -2.016564     -2.039044      8.918034
  H      -4.313329     -2.623784      8.213976
  N      -7.616348     -5.607097     -0.585980
  N      -6.525310     -5.570342     -0.742678
70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670649-zeTV/orca E -7298.836418252997
  N      -2.925486     -3.491925      1.934428
  C      -2.956258     -4.204843      0.657774
  C      -2.426848     -5.599621      0.936001
  N      -3.195908     -6.144112      2.092296
  C      -4.220108     -7.120308      1.651231
  C      -5.353797     -7.093102      2.650133
  N      -5.749762     -5.696477      2.751793
  Mo     -4.245836     -4.282190      3.224563
  N      -2.793025     -4.868827      4.501637
  C      -1.688595     -5.652778      3.960727
  C      -2.295552     -6.746072      3.107327
  H      -1.094549     -6.112856      4.765018
  H      -1.008338     -5.015467      3.365380
  H      -2.897479     -7.401855      3.751252
  H      -1.524899     -7.358966      2.611153
  H      -6.188710     -7.708004      2.278714
  H      -5.043373     -7.518364      3.623911
  H      -4.600933     -6.791415      0.676147
  H      -3.773580     -8.122348      1.539576
  H      -2.386388     -3.693104     -0.128059
  H      -4.001055     -4.250213      0.314225
  H      -1.364292     -5.542128      1.206331
  H      -2.527197     -6.270467      0.070372
  C      -1.965566     -2.528006      2.166868
  C      -0.803325     -2.473955      1.354086
  C       0.220039     -1.574452      1.592042
  C       0.119590     -0.671385      2.660141
  C      -1.011728     -0.676275      3.454954
  C      -2.085453     -1.575555      3.246392
  C      -3.276895     -1.534394      4.064194
  O      -4.149993     -2.513036      3.995251
  C      -3.674667     -0.491230      4.984212
  F      -4.902622     -0.780905      5.529371
  S      -2.971396      0.913074      5.467368
  C      -7.058560     -5.424991      3.067759
  C      -7.870856     -6.368975      3.740880
  C      -9.171930     -6.068138      4.105340
  C      -9.730230     -4.816234      3.799192
  C      -8.984449     -3.894504      3.086638
  C      -7.657172     -4.171444      2.689064
  C      -6.884661     -3.263268      1.864003
  O      -5.611876     -3.265081      1.892456
  C      -7.485241     -2.352790      0.873019
  F      -8.826736     -2.548761      0.692283
  S      -6.704693     -1.235854     -0.020016
  C      -2.596420     -4.229466      5.719791
  C      -1.293857     -3.939522      6.181432
  C      -1.086498     -3.174789      7.321690
  C      -2.174568     -2.680216      8.050491
  C      -3.462456     -3.004699      7.653381
  C      -3.708782     -3.798504      6.515184
  C      -5.062513     -4.215382      6.170977
  O      -5.409115     -4.515908      4.968327
  C      -6.098181     -4.421359      7.178189
  F      -7.328326     -4.539822      6.593490
  S      -5.974464     -4.631836      8.799602
  H      -0.681353     -3.186477      0.540652
  H       1.105677     -1.586159      0.954476
  H       0.926496      0.031594      2.870603
  H      -1.099104      0.033086      4.274717
  H      -7.439621     -7.322378      4.043333
  H      -9.753932     -6.801887      4.665818
  H     -10.741354     -4.569239      4.123058
  H      -9.417384     -2.926512      2.844567
  H      -0.433526     -4.252439      5.591913
  H      -0.066430     -2.928987      7.621703
  H      -2.015822     -2.038937      8.917462
  H      -4.312667     -2.623257      8.213607
  N      -7.618423     -5.611654     -0.582012
  N      -6.527700     -5.570479     -0.740715
