74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7652.859236527169
  N      -3.251585     -4.029820      1.616689
  C      -2.834700     -4.900844      0.518348
  C      -2.547142     -6.257972      1.128703
  N      -3.617405     -6.527087      2.105550
  C      -4.832727     -6.947976      1.386103
  C      -5.991826     -6.805079      2.352027
  N      -5.794661     -5.538294      3.055739
  Mo     -4.060122     -4.591878      3.349837
  N      -2.788981     -5.715880      4.395984
  C      -2.221542     -7.004577      4.001831
  C      -3.187695     -7.612779      3.004839
  H      -2.107455     -7.657673      4.874238
  H      -1.229441     -6.872344      3.551215
  H      -4.050807     -8.011829      3.542870
  H      -2.719967     -8.422456      2.433834
  H      -6.944039     -6.800828      1.809930
  H      -6.012903     -7.643447      3.060278
  H      -5.001212     -6.292707      0.528299
  H      -4.730832     -7.979173      1.030136
  H      -1.938529     -4.502266      0.029771
  H      -3.624415     -4.975446     -0.240314
  H      -1.581180     -6.221890      1.637696
  H      -2.516989     -7.043685      0.365665
  C      -3.188765     -2.687657      1.269725
  C      -3.453826     -2.268868     -0.046732
  C      -3.430674     -0.942657     -0.414405
  C      -3.103184      0.015112      0.537247
  F      -3.099068      1.312557      0.187959
  C      -2.801872     -0.335070      1.831141
  C      -2.830580     -1.679968      2.218780
  C      -2.451739     -2.096358      3.546971
  O      -2.839856     -3.245234      3.958868
  C      -1.595609     -1.355781      4.414296
  F      -1.470563     -1.956781      5.629429
  S      -0.721881      0.012789      4.161017
  C      -6.949779     -5.106684      3.689641
  C      -7.874704     -6.028186      4.214695
  C      -9.010546     -5.630086      4.882103
  C      -9.273336     -4.272365      5.016860
  F     -10.369341     -3.879277      5.687299
  C      -8.427380     -3.324681      4.494008
  C      -7.266203     -3.717740      3.818034
  C      -6.394864     -2.758943      3.184959
  O      -5.194979     -3.113989      2.914630
  C      -6.797685     -1.461261      2.750129
  F      -5.749311     -0.753277      2.247899
  S      -8.277409     -0.749020      2.701270
  C      -2.211891     -5.226000      5.559274
  C      -0.855946     -5.462556      5.847937
  C      -0.247260     -4.959701      6.975602
  C      -1.003584     -4.222457      7.878077
  F      -0.408800     -3.711872      8.969361
  C      -2.341348     -3.988335      7.668650
  C      -2.968205     -4.486419      6.520737
  C      -4.384371     -4.325528      6.294913
  O      -4.827101     -4.450730      5.100095
  C      -5.350723     -4.124297      7.324079
  F      -6.599589     -3.947944      6.811800
  S      -5.205237     -4.138753      8.960898
  H      -3.748818     -2.984389     -0.795781
  H      -3.681266     -0.637721     -1.418046
  H      -2.571855      0.436126      2.546016
  H      -7.678392     -7.085842      4.162254
  H      -9.683107     -6.352061      5.317386
  H      -8.653192     -2.281351      4.632941
  H      -0.236434     -5.996790      5.147226
  H       0.805068     -5.111731      7.156022
  H      -2.891362     -3.396902      8.380359
  N      -4.667369     -6.304783      4.460741
  H      -3.927431     -6.999775      4.549282
  H      -5.458129     -6.788785      4.037891
  H      -4.953634     -6.076639      5.411721
  N      -5.144078     -4.515026      1.517889
  N      -5.866716     -4.463791      0.296591
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.000202006185
  N      -3.241457     -4.030699      1.610670
  C      -2.819962     -4.902882      0.513375
  C      -2.536676     -6.263412      1.121190
  N      -3.611178     -6.544427      2.094412
  C      -4.833496     -6.963504      1.366654
  C      -6.017137     -6.824411      2.317634
  N      -5.846041     -5.550466      3.042066
  Mo     -4.071985     -4.605039      3.358300
  N      -2.766724     -5.724877      4.408935
  C      -2.196325     -7.016878      3.987591
  C      -3.166721     -7.639015      2.983161
  H      -2.064913     -7.677528      4.854258
  H      -1.210536     -6.870492      3.524609
  H      -4.021276     -8.059072      3.514353
  H      -2.690986     -8.437994      2.400893
  H      -6.960188     -6.820039      1.758940
  H      -6.046305     -7.673516      3.017547
  H      -4.995868     -6.303381      0.514613
  H      -4.723703     -7.993870      1.004493
  H      -1.919427     -4.504356      0.031888
  H      -3.605669     -4.974377     -0.252127
  H      -1.572854     -6.229359      1.636370
  H      -2.502702     -7.046285      0.353178
  C      -3.173059     -2.685161      1.269768
  C      -3.431409     -2.263935     -0.049367
  C      -3.404595     -0.934203     -0.413958
  C      -3.080242      0.020891      0.544258
  F      -3.073211      1.322233      0.197419
  C      -2.785419     -0.332730      1.840817
  C      -2.817476     -1.680744      2.228022
  C      -2.446640     -2.101827      3.562379
  O      -2.841724     -3.257123      3.978763
  C      -1.589500     -1.364166      4.440481
  F      -1.476628     -1.972260      5.654822
  S      -0.705512     -0.000292      4.198722
  C      -7.009587     -5.113134      3.671249
  C      -7.943590     -6.039688      4.178711
  C      -9.084500     -5.645886      4.846640
  C      -9.341203     -4.287393      4.999855
  F     -10.441569     -3.899050      5.672280
  C      -8.486921     -3.334373      4.495872
  C      -7.320764     -3.721338      3.819248
  C      -6.437704     -2.756981      3.207536
  O      -5.227156     -3.115940      2.935957
  C      -6.828488     -1.447721      2.786416
  F      -5.766756     -0.742244      2.303164
  S      -8.301849     -0.719993      2.734723
  C      -2.188713     -5.217924      5.566612
  C      -0.827871     -5.453371      5.845864
  C      -0.205194     -4.937142      6.961886
  C      -0.952719     -4.183968      7.860658
  F      -0.342772     -3.658155      8.940264
  C      -2.293691     -3.945629      7.660948
  C      -2.941901     -4.456445      6.525657
  C      -4.367870     -4.274130      6.319324
  O      -4.843113     -4.414904      5.122936
  C      -5.314653     -4.040166      7.364625
  F      -6.570733     -3.852754      6.867315
  S      -5.142992     -4.030174      9.000548
  H      -3.724521     -2.980730     -0.802044
  H      -3.650706     -0.625225     -1.420957
  H      -2.558150      0.438919      2.559790
  H      -7.750541     -7.100677      4.112568
  H      -9.764566     -6.373297      5.269070
  H      -8.709257     -2.289808      4.650680
  H      -0.215747     -6.000479      5.143379
  H       0.851775     -5.090328      7.134361
  H      -2.832366     -3.337799      8.371172
  N      -4.708848     -6.371065      4.503427
  H      -3.980660     -7.069455      4.602929
  H      -5.497853     -6.871576      4.102524
  H      -4.996687     -6.143165      5.451900
  N      -5.154377     -4.521235      1.476712
  N      -5.797719     -4.453789      0.290078
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.093197237736
  N      -3.227669     -4.027069      1.595225
  C      -2.804850     -4.905312      0.501333
  C      -2.529974     -6.268362      1.109529
  N      -3.606845     -6.559739      2.082427
  C      -4.835737     -6.983161      1.351934
  C      -6.038565     -6.846646      2.292534
  N      -5.895988     -5.565822      3.032227
  Mo     -4.080181     -4.615649      3.361019
  N      -2.741191     -5.731581      4.415948
  C      -2.172942     -7.025243      3.972918
  C      -3.147713     -7.658526      2.965033
  H      -2.026941     -7.690795      4.835505
  H      -1.193318     -6.868944      3.498073
  H      -3.994979     -8.094013      3.492155
  H      -2.665911     -8.449764      2.375002
  H      -6.974429     -6.847235      1.720934
  H      -6.069407     -7.702840      2.987492
  H      -4.995936     -6.324694      0.502910
  H      -4.716952     -8.013763      0.988441
  H      -1.898983     -4.510536      0.025373
  H      -3.587082     -4.973450     -0.269788
  H      -1.567744     -6.234966      1.629608
  H      -2.493875     -7.050857      0.339297
  C      -3.151592     -2.678381      1.261106
  C      -3.401022     -2.253331     -0.060202
  C      -3.366446     -0.919879     -0.420780
  C      -3.044050      0.031031      0.544637
  F      -3.029571      1.336267      0.201199
  C      -2.758249     -0.327296      1.843381
  C      -2.797179     -1.678043      2.228125
  C      -2.434703     -2.103254      3.566046
  O      -2.836006     -3.264058      3.985883
  C      -1.575883     -1.368429      4.453258
  F      -1.473673     -1.981896      5.667081
  S      -0.683360     -0.009029      4.220653
  C      -7.062875     -5.125558      3.657277
  C      -8.004620     -6.056511      4.148477
  C      -9.151045     -5.665970      4.814220
  C      -9.402233     -4.306424      4.982016
  F     -10.508535     -3.921871      5.653142
  C      -8.540292     -3.348606      4.496231
  C      -7.368547     -3.728721      3.820452
  C      -6.478694     -2.754023      3.228819
  O      -5.257709     -3.113744      2.951468
  C      -6.861223     -1.434859      2.821691
  F      -5.788732     -0.730254      2.353871
  S      -8.330057     -0.695660      2.768817
  C      -2.161091     -5.210348      5.569424
  C      -0.796699     -5.441351      5.846786
  C      -0.169042     -4.913706      6.958225
  C      -0.915678     -4.151424      7.852139
  F      -0.300643     -3.613203      8.926786
  C      -2.258147     -3.913508      7.655095
  C      -2.917018     -4.434315      6.527327
  C      -4.349715     -4.236535      6.337863
  O      -4.852472     -4.387659      5.142445
  C      -5.286259     -3.979630      7.391079
  F      -6.545644     -3.785716      6.896308
  S      -5.105761     -3.951324      9.027229
  H      -3.692273     -2.969812     -0.817192
  H      -3.605280     -0.605761     -1.430770
  H      -2.531849      0.443193      2.567282
  H      -7.814044     -7.120155      4.069783
  H      -9.838826     -6.397454      5.223802
  H      -8.760885     -2.303251      4.663700
  H      -0.186339     -5.996669      5.145221
  H       0.891101     -5.065071      7.129516
  H      -2.793257     -3.295729      8.362957
  N      -4.742848     -6.424502      4.545227
  H      -4.023127     -7.127468      4.652671
  H      -5.534525     -6.938707      4.167641
  H      -5.026384     -6.184430      5.492213
  N      -5.200016     -4.521318      1.468187
  N      -5.829849     -4.410087      0.386060
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.161670910575
  N      -3.212463     -4.019548      1.582083
  C      -2.789993     -4.906066      0.494525
  C      -2.523801     -6.270511      1.103354
  N      -3.602921     -6.571134      2.074536
  C      -4.835876     -6.999119      1.342630
  C      -6.055409     -6.864414      2.273467
  N      -5.943260     -5.581018      3.023175
  Mo     -4.088515     -4.623361      3.362584
  N      -2.721246     -5.734630      4.422428
  C      -2.155982     -7.026827      3.963058
  C      -3.131099     -7.669377      2.953118
  H      -1.998285     -7.696235      4.821980
  H      -1.181076     -6.862209      3.479559
  H      -3.973477     -8.118569      3.475314
  H      -2.642359     -8.453836      2.357995
  H      -6.984465     -6.871287      1.689705
  H      -6.086701     -7.726409      2.963653
  H      -4.992206     -6.343100      0.493243
  H      -4.709606     -8.030010      0.979928
  H      -1.878948     -4.515807      0.023542
  H      -3.568473     -4.973058     -0.282676
  H      -1.563753     -6.237128      1.628466
  H      -2.485102     -7.053631      0.332127
  C      -3.130436     -2.671687      1.253638
  C      -3.371612     -2.245592     -0.070523
  C      -3.332263     -0.909865     -0.429423
  C      -3.014450      0.038637      0.541332
  F      -2.995616      1.346687      0.199262
  C      -2.737333     -0.321361      1.842128
  C      -2.780322     -1.673808      2.226020
  C      -2.426825     -2.099931      3.565321
  O      -2.832275     -3.263612      3.989847
  C      -1.567980     -1.363093      4.457283
  F      -1.472672     -1.975707      5.672480
  S      -0.671241     -0.007131      4.225660
  C      -7.108395     -5.139869      3.642918
  C      -8.056650     -6.074588      4.118899
  C      -9.206246     -5.687507      4.784683
  C      -9.450288     -4.327467      4.968474
  F     -10.560277     -3.946467      5.641179
  C      -8.581910     -3.365817      4.500014
  C      -7.406569     -3.738651      3.822384
  C      -6.512346     -2.752315      3.252285
  O      -5.284501     -3.107537      2.966981
  C      -6.887718     -1.423474      2.864349
  F      -5.805999     -0.717509      2.412724
  S      -8.352572     -0.674671      2.815438
  C      -2.140212     -5.206443      5.570153
  C      -0.774539     -5.438698      5.845508
  C      -0.141565     -4.905462      6.953763
  C      -0.886271     -4.134640      7.843178
  F      -0.266526     -3.588917      8.914660
  C      -2.228667     -3.892725      7.647358
  C      -2.896817     -4.418265      6.525271
  C      -4.331975     -4.202239      6.349023
  O      -4.861685     -4.360043      5.158848
  C      -5.258817     -3.922984      7.407716
  F      -6.519986     -3.719889      6.913697
  S      -5.072092     -3.879611      9.043589
  H      -3.659370     -2.963660     -0.830123
  H      -3.564329     -0.593036     -1.442363
  H      -2.513839      0.449176      2.569611
  H      -7.868472     -7.139977      4.026335
  H      -9.900807     -6.422266      5.182344
  H      -8.799613     -2.320262      4.681612
  H      -0.168272     -6.002092      5.143557
  H       0.920478     -5.058798      7.124532
  H      -2.759674     -3.265816      8.353141
  N      -4.778924     -6.469629      4.587018
  H      -4.063847     -7.177505      4.704759
  H      -5.574453     -6.996076      4.229720
  H      -5.058531     -6.208664      5.531309
  N      -5.239895     -4.522901      1.436303
  N      -5.839866     -4.372369      0.457340
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.207854014800
  N      -3.195159     -4.008258      1.569985
  C      -2.773954     -4.905841      0.490840
  C      -2.518614     -6.271334      1.099552
  N      -3.599779     -6.583201      2.068202
  C      -4.835293     -7.019740      1.337966
  C      -6.070700     -6.883887      2.258406
  N      -5.994584     -5.599565      3.015016
  Mo     -4.099003     -4.630188      3.363855
  N      -2.700628     -5.733807      4.427255
  C      -2.138681     -7.022405      3.953664
  C      -3.111547     -7.675722      2.944074
  H      -1.967643     -7.695163      4.808674
  H      -1.168662     -6.849013      3.461544
  H      -3.948868     -8.140891      3.460231
  H      -2.613296     -8.452655      2.345196
  H      -6.992100     -6.901121      1.661195
  H      -6.101337     -7.751084      2.944666
  H      -4.986314     -6.370736      0.484196
  H      -4.701588     -8.051873      0.979603
  H      -1.856490     -4.521544      0.025839
  H      -3.546979     -4.972022     -0.294256
  H      -1.561722     -6.237251      1.631129
  H      -2.475424     -7.055679      0.328020
  C      -3.105067     -2.663182      1.246052
  C      -3.334165     -2.237588     -0.082440
  C      -3.288478     -0.900695     -0.441578
  C      -2.978380      0.046503      0.534030
  F      -2.953941      1.356641      0.191419
  C      -2.714000     -0.313025      1.837593
  C      -2.761929     -1.666579      2.222064
  C      -2.421246     -2.092768      3.561646
  O      -2.831057     -3.257297      3.989417
  C      -1.563990     -1.354080      4.459551
  F      -1.478230     -1.965427      5.676229
  S      -0.661417     -0.002318      4.230349
  C      -7.154769     -5.160837      3.626278
  C      -8.112374     -6.099250      4.081991
  C      -9.265143     -5.716002      4.746181
  C      -9.499182     -4.355844      4.950839
  F     -10.613477     -3.978858      5.624278
  C      -8.622121     -3.391058      4.505713
  C      -7.442667     -3.755225      3.826380
  C      -6.543932     -2.754715      3.285325
  O      -5.312288     -3.099754      2.988217
  C      -6.913162     -1.413660      2.925180
  F      -5.823206     -0.703459      2.494050
  S      -8.373903     -0.656531      2.884520
  C      -2.118111     -5.202007      5.567990
  C      -0.752250     -5.440022      5.843018
  C      -0.114202     -4.905029      6.949382
  C      -0.856134     -4.124435      7.833754
  F      -0.232046     -3.574319      8.903472
  C      -2.196519     -3.874187      7.637192
  C      -2.873547     -4.401224      6.519513
  C      -4.307304     -4.161807      6.355332
  O      -4.866802     -4.324554      5.175486
  C      -5.223639     -3.856265      7.419039
  F      -6.485351     -3.640354      6.925081
  S      -5.032352     -3.797469      9.054029
  H      -3.616045     -2.958474     -0.844192
  H      -3.510363     -0.582670     -1.458447
  H      -2.495285      0.458333      2.568118
  H      -7.927855     -7.165751      3.971083
  H      -9.968857     -6.453616      5.127400
  H      -8.835522     -2.346017      4.705063
  H      -0.151725     -6.012760      5.140878
  H       0.948715     -5.063892      7.121208
  H      -2.722728     -3.237428      8.340482
  N      -4.820890     -6.516042      4.640821
  H      -4.109185     -7.228733      4.772531
  H      -5.622050     -7.055597      4.308671
  H      -5.093433     -6.223828      5.580054
  N      -5.300596     -4.517342      1.388398
  N      -5.909513     -4.309934      0.475517
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.243825857286
  N      -3.179803     -3.996342      1.560885
  C      -2.762116     -4.904586      0.490164
  C      -2.515586     -6.269928      1.098061
  N      -3.597033     -6.592002      2.065230
  C      -4.833856     -7.035621      1.338721
  C      -6.082092     -6.899385      2.247606
  N      -6.040093     -5.617673      3.007246
  Mo     -4.107334     -4.636844      3.365840
  N      -2.680765     -5.732333      4.432425
  C      -2.122162     -7.015915      3.948004
  C      -3.092497     -7.676489      2.940337
  H      -1.939412     -7.691908      4.798948
  H      -1.156000     -6.836157      3.448745
  H      -3.925813     -8.155784      3.451042
  H      -2.585351     -8.446874      2.338898
  H      -6.995208     -6.927039      1.636674
  H      -6.113044     -7.771115      2.929858
  H      -4.978532     -6.392240      0.478887
  H      -4.694832     -8.069222      0.985178
  H      -1.839403     -4.526149      0.028928
  H      -3.530976     -4.970601     -0.301006
  H      -1.561240     -6.235417      1.634620
  H      -2.468648     -7.055487      0.326575
  C      -3.083552     -2.655269      1.239821
  C      -3.302087     -2.231203     -0.093108
  C      -3.252046     -0.894263     -0.453514
  C      -2.950398      0.053123      0.525707
  F      -2.922688      1.364580      0.181189
  C      -2.697277     -0.304044      1.831583
  C      -2.747727     -1.658455      2.217855
  C      -2.417946     -2.083312      3.556996
  O      -2.829841     -3.247227      3.988171
  C      -1.562421     -1.340395      4.458698
  F      -1.483374     -1.948258      5.677376
  S      -0.656467      0.008283      4.229022
  C      -7.194255     -5.182884      3.607593
  C      -8.163403     -6.123807      4.041345
  C      -9.318835     -5.743369      4.702065
  C      -9.541661     -4.383254      4.928275
  F     -10.660261     -4.009603      5.601079
  C      -8.654998     -3.417127      4.508079
  C      -7.471229     -3.773646      3.828276
  C      -6.567815     -2.761474      3.317235
  O      -5.335462     -3.093707      3.009018
  C      -6.931563     -1.407533      2.985516
  F      -5.834366     -0.693651      2.576241
  S      -8.387131     -0.642667      2.953246
  C      -2.097426     -5.200273      5.566578
  C      -0.732338     -5.448096      5.843265
  C      -0.089773     -4.914927      6.948771
  C      -0.827755     -4.123690      7.828241
  F      -0.199322     -3.572659      8.897349
  C      -2.164528     -3.861418      7.629331
  C      -2.849614     -4.386911      6.514195
  C      -4.278588     -4.122492      6.358513
  O      -4.865719     -4.288159      5.191158
  C      -5.185198     -3.789882      7.426891
  F      -6.446148     -3.559018      6.933161
  S      -4.991066     -3.717128      9.060363
  H      -3.577736     -2.955709     -0.855609
  H      -3.464905     -0.576449     -1.473862
  H      -2.483910      0.468821      2.563864
  H      -7.983073     -7.190445      3.911491
  H     -10.032673     -6.482380      5.065371
  H      -8.863429     -2.373238      4.724955
  H      -0.138633     -6.030570      5.141391
  H       0.972805     -5.082399      7.122779
  H      -2.685114     -3.214840      8.329841
  N      -4.859815     -6.562420      4.699526
  H      -4.149572     -7.278137      4.845830
  H      -5.666471     -7.114232      4.393060
  H      -5.123756     -6.235260      5.631394
  N      -5.362902     -4.510345      1.328791
  N      -6.004823     -4.236876      0.452737
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.272751275250
  N      -3.167900     -3.984423      1.554917
  C      -2.756609     -4.901355      0.491400
  C      -2.514489     -6.265105      1.098898
  N      -3.594262     -6.594303      2.066323
  C      -4.830137     -7.042564      1.344745
  C      -6.086253     -6.908518      2.241746
  N      -6.072706     -5.632896      2.999047
  Mo     -4.110716     -4.642318      3.368191
  N      -2.665027     -5.731988      4.438413
  C      -2.109430     -7.009524      3.948023
  C      -3.077555     -7.670150      2.943440
  H      -1.919793     -7.689060      4.794972
  H      -1.144661     -6.828159      3.444933
  H      -3.909747     -8.158543      3.449620
  H      -2.563906     -8.436391      2.341012
  H      -6.991033     -6.946318      1.617719
  H      -6.118431     -7.783461      2.920438
  H      -4.967659     -6.402812      0.478001
  H      -4.688417     -8.077812      0.996225
  H      -1.831117     -4.528093      0.029828
  H      -3.523576     -4.968685     -0.302594
  H      -1.561453     -6.230816      1.637783
  H      -2.465496     -7.051707      0.327886
  C      -3.070049     -2.648016      1.234405
  C      -3.282707     -2.226520     -0.102519
  C      -3.233470     -0.890780     -0.465282
  C      -2.940650      0.058816      0.515616
  F      -2.915372      1.370694      0.167740
  C      -2.693967     -0.293828      1.822945
  C      -2.741402     -1.648901      2.212755
  C      -2.417343     -2.070644      3.551653
  O      -2.826946     -3.232367      3.987998
  C      -1.563326     -1.320473      4.453935
  F      -1.486334     -1.923081      5.674893
  S      -0.657462      0.026914      4.220406
  C      -7.221196     -5.202146      3.587808
  C      -8.202905     -6.143663      4.002038
  C      -9.359505     -5.764208      4.658833
  C      -9.571306     -4.404214      4.904164
  F     -10.692920     -4.032551      5.576201
  C      -8.675776     -3.439099      4.505655
  C      -7.488620     -3.790823      3.825800
  C      -6.581175     -2.772516      3.339415
  O      -5.350952     -3.089875      3.023303
  C      -6.942583     -1.406493      3.031929
  F      -5.841157     -0.689263      2.642646
  S      -8.393158     -0.637300      3.007043
  C      -2.082803     -5.203786      5.567966
  C      -0.719566     -5.466676      5.847820
  C      -0.072221     -4.940071      6.952959
  C      -0.803853     -4.137429      7.828564
  F      -0.169938     -3.590383      8.897905
  C      -2.135622     -3.858638      7.626590
  C      -2.828562     -4.378480      6.511754
  C      -4.249723     -4.089213      6.359328
  O      -4.859288     -4.254901      5.204137
  C      -5.147321     -3.730742      7.433007
  F      -6.406410     -3.482280      6.941867
  S      -4.950298     -3.648075      9.064272
  H      -3.552303     -2.955552     -0.863634
  H      -3.441325     -0.574924     -1.487890
  H      -2.486728      0.481516      2.554901
  H      -8.026489     -7.209282      3.855575
  H     -10.082667     -6.502645      5.006270
  H      -8.878944     -2.396764      4.737044
  H      -0.134372     -6.058750      5.146203
  H       0.988475     -5.119979      7.129274
  H      -2.648757     -3.202789      8.324640
  N      -4.892516     -6.608016      4.759591
  H      -4.182441     -7.324263      4.920617
  H      -5.703506     -7.169371      4.475826
  H      -5.147835     -6.245285      5.681387
  N      -5.413082     -4.499006      1.247026
  N      -6.071326     -4.162282      0.415664
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.296618424061
  N      -3.159548     -3.974447      1.552267
  C      -2.755437     -4.897552      0.493349
  C      -2.514637     -6.259534      1.100037
  N      -3.591774     -6.594506      2.068651
  C      -4.825242     -7.048318      1.353308
  C      -6.085018     -6.914525      2.239998
  N      -6.093059     -5.644410      2.991278
  Mo     -4.111492     -4.646925      3.370925
  N      -2.652446     -5.730756      4.441838
  C      -2.098696     -7.002765      3.948119
  C      -3.064181     -7.661635      2.948035
  H      -1.903486     -7.685788      4.791239
  H      -1.134238     -6.821206      3.442884
  H      -3.895658     -8.157403      3.450026
  H      -2.545089     -8.424402      2.344740
  H      -6.982225     -6.962973      1.604386
  H      -6.119917     -7.790975      2.917364
  H      -4.955780     -6.414759      0.479246
  H      -4.682510     -8.085933      1.011099
  H      -1.828658     -4.528519      0.029513
  H      -3.521268     -4.966363     -0.302065
  H      -1.562189     -6.225907      1.640181
  H      -2.463702     -7.046699      0.329288
  C      -3.060917     -2.641312      1.230171
  C      -3.268870     -2.222494     -0.110198
  C      -3.221433     -0.888283     -0.475969
  C      -2.937392      0.064244      0.505462
  F      -2.915710      1.375958      0.153777
  C      -2.695739     -0.283729      1.814077
  C      -2.738797     -1.639028      2.207467
  C      -2.418435     -2.057797      3.546655
  O      -2.823818     -3.216035      3.987671
  C      -1.566144     -1.301252      4.449549
  F      -1.490768     -1.900317      5.672193
  S      -0.660335      0.045189      4.213189
  C      -7.239150     -5.217431      3.569298
  C      -8.232935     -6.159024      3.964867
  C      -9.391061     -5.780493      4.616672
  C      -9.594254     -4.421273      4.879507
  F     -10.718995     -4.052039      5.549535
  C      -8.690719     -3.457581      4.500867
  C      -7.500364     -3.805937      3.822023
  C      -6.588701     -2.785529      3.354629
  O      -5.361705     -3.088774      3.033133
  C      -6.950358     -1.408982      3.065573
  F      -5.846552     -0.689586      2.692993
  S      -8.396957     -0.638074      3.045071
  C      -2.070883     -5.207345      5.569576
  C      -0.709678     -5.486586      5.852688
  C      -0.057524     -4.969089      6.957964
  C      -0.781804     -4.156355      7.831291
  F      -0.142248     -3.616048      8.901315
  C      -2.108475     -3.860605      7.626662
  C      -2.808618     -4.372778      6.511039
  C      -4.221849     -4.062105      6.358766
  O      -4.847620     -4.226083      5.214221
  C      -5.112402     -3.681610      7.436590
  F      -6.368423     -3.416392      6.946922
  S      -4.915100     -3.592883      9.066255
  H      -3.532611     -2.956084     -0.869369
  H      -3.425235     -0.574977     -1.500490
  H      -2.494344      0.494142      2.545245
  H      -8.059231     -7.223096      3.803369
  H     -10.122600     -6.518130      4.948922
  H      -8.889787     -2.417012      4.744259
  H      -0.133021     -6.086852      5.150836
  H       1.000791     -5.162297      7.136053
  H      -2.613969     -3.197258      8.323354
  N      -4.922316     -6.650553      4.825616
  H      -4.213469     -7.366081      5.002964
  H      -5.737615     -7.218085      4.563807
  H      -5.167944     -6.251766      5.735463
  N      -5.465608     -4.477037      1.160788
  N      -6.142139     -4.074565      0.370984
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.316558075160
  N      -3.154306     -3.966489      1.551633
  C      -2.759106     -4.893260      0.494622
  C      -2.515881     -6.253170      1.100338
  N      -3.589065     -6.591841      2.071780
  C      -4.819485     -7.050043      1.362553
  C      -6.078785     -6.916633      2.240948
  N      -6.100347     -5.651530      2.983430
  Mo     -4.108199     -4.650920      3.373244
  N      -2.643231     -5.728892      4.443735
  C      -2.090914     -6.996418      3.949974
  C      -3.054079     -7.650875      2.955189
  H      -1.893316     -7.682357      4.790249
  H      -1.125177     -6.817157      3.445047
  H      -3.886515     -8.149923      3.454675
  H      -2.531777     -8.412407      2.352076
  H      -6.969751     -6.974959      1.595925
  H      -6.117424     -7.793141      2.918442
  H      -4.943766     -6.422306      0.481118
  H      -4.677541     -8.090084      1.026385
  H      -1.833127     -4.527499      0.025332
  H      -3.526120     -4.963838     -0.299716
  H      -1.562743     -6.220535      1.639472
  H      -2.464322     -7.040650      0.329758
  C      -3.057251     -2.635339      1.226186
  C      -3.263540     -2.219375     -0.116617
  C      -3.220317     -0.886568     -0.485627
  C      -2.944404      0.069451      0.495199
  F      -2.928900      1.380674      0.139870
  C      -2.704445     -0.274046      1.804671
  C      -2.740524     -1.629240      2.201063
  C      -2.419844     -2.044533      3.540693
  O      -2.818830     -3.198922      3.986858
  C      -1.568747     -1.280098      4.441810
  F      -1.491694     -1.874559      5.666575
  S      -0.665513      0.066563      4.199326
  C      -7.247053     -5.227641      3.552092
  C      -8.251463     -6.169106      3.929535
  C      -9.411474     -5.791964      4.576425
  C      -9.608524     -4.434348      4.855809
  F     -10.736141     -4.068324      5.523657
  C      -8.698210     -3.471771      4.494896
  C      -7.505326     -3.817673      3.817299
  C      -6.589778     -2.797781      3.363081
  O      -5.366211     -3.089163      3.038182
  C      -6.953088     -1.412214      3.087529
  F      -5.847803     -0.691592      2.728757
  S      -8.396783     -0.641113      3.069194
  C      -2.062128     -5.211817      5.572959
  C      -0.703885     -5.509161      5.860055
  C      -0.047588     -5.003310      6.966942
  C      -0.764241     -4.181868      7.839143
  F      -0.120005     -3.651187      8.911198
  C      -2.085568     -3.868424      7.631205
  C      -2.790986     -4.370479      6.513122
  C      -4.196378     -4.040748      6.357686
  O      -4.831442     -4.201951      5.220462
  C      -5.081697     -3.640999      7.437667
  F      -6.333416     -3.358619      6.947638
  S      -4.886247     -3.548984      9.066567
  H      -3.522072     -2.957326     -0.873389
  H      -3.422602     -0.576215     -1.511382
  H      -2.508201      0.506205      2.534741
  H      -8.079484     -7.231103      3.754092
  H     -10.150034     -6.529052      4.894292
  H      -8.894286     -2.433136      4.748347
  H      -0.135270     -6.116253      5.157799
  H       1.007641     -5.210845      7.147165
  H      -2.584042     -3.199359      8.327369
  N      -4.947081     -6.693557      4.894899
  H      -4.239177     -7.407503      5.088694
  H      -5.766539     -7.264648      4.653123
  H      -5.182839     -6.260950      5.791758
  N      -5.513459     -4.450241      1.068216
  N      -6.198215     -3.988273      0.325965
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.333507810076
  N      -3.152150     -3.960839      1.553391
  C      -2.765962     -4.888929      0.495704
  C      -2.517611     -6.247032      1.099619
  N      -3.586340     -6.588550      2.074380
  C      -4.813363     -7.051333      1.371035
  C      -6.068920     -6.916448      2.243872
  N      -6.095817     -5.653975      2.975917
  Mo     -4.102797     -4.654354      3.375167
  N      -2.637650     -5.725257      4.443201
  C      -2.085730     -6.989994      3.951358
  C      -3.046081     -7.640531      2.961801
  H      -1.887202     -7.678007      4.789785
  H      -1.117827     -6.813406      3.448526
  H      -3.879631     -8.140869      3.459423
  H      -2.521729     -8.401724      2.359065
  H      -6.955558     -6.983763      1.592201
  H      -6.112608     -7.791186      2.923820
  H      -4.932403     -6.430338      0.482771
  H      -4.673139     -8.094002      1.041049
  H      -1.842153     -4.525267      0.019472
  H      -3.535333     -4.960852     -0.296285
  H      -1.563056     -6.215614      1.636702
  H      -2.465698     -7.034310      0.328735
  C      -3.057111     -2.630310      1.223363
  C      -3.262576     -2.217580     -0.121159
  C      -3.223965     -0.885993     -0.493766
  C      -2.955715      0.073922      0.485533
  F      -2.946952      1.384322      0.126582
  C      -2.716059     -0.265294      1.795872
  C      -2.744483     -1.619994      2.194809
  C      -2.421373     -2.031847      3.535120
  O      -2.813459     -3.182412      3.985554
  C      -1.571153     -1.260953      4.434767
  F      -1.492717     -1.852758      5.660944
  S      -0.669590      0.085588      4.187429
  C      -7.245986     -5.232763      3.536739
  C      -8.258099     -6.175014      3.896121
  C      -9.421032     -5.800890      4.538234
  C      -9.615393     -4.445897      4.833371
  F     -10.746084     -4.084744      5.498729
  C      -8.700049     -3.482926      4.488579
  C      -7.505029     -3.826047      3.812571
  C      -6.586500     -2.807446      3.366581
  O      -5.365991     -3.090091      3.039528
  C      -6.952720     -1.414971      3.100017
  F      -5.846762     -0.693186      2.751951
  S      -8.395305     -0.645686      3.081651
  C      -2.056011     -5.215108      5.576404
  C      -0.701335     -5.530646      5.866715
  C      -0.040965     -5.037511      6.975984
  C      -0.749701     -4.208895      7.848297
  F      -0.101349     -3.689195      8.922872
  C      -2.066048     -3.878443      7.637598
  C      -2.775480     -4.369529      6.516644
  C      -4.174095     -4.023731      6.356379
  O      -4.811780     -4.182195      5.222762
  C      -5.056478     -3.607561      7.435548
  F      -6.302849     -3.309189      6.942020
  S      -4.866241     -3.514112      9.064806
  H      -3.516260     -2.959501     -0.875643
  H      -3.425519     -0.578963     -1.520651
  H      -2.524232      0.517212      2.524691
  H      -8.086097     -7.234553      3.707668
  H     -10.164826     -6.538641      4.842196
  H      -8.895004     -2.446324      4.750527
  H      -0.139997     -6.143125      5.163632
  H       1.011030     -5.259242      7.157862
  H      -2.558253     -3.205333      8.334218
  N      -4.970320     -6.736482      4.969281
  H      -4.263894     -7.448069      5.179926
  H      -5.794542     -7.308629      4.746583
  H      -5.195837     -6.272326      5.852721
  N      -5.563630     -4.417019      0.977860
  N      -6.257502     -3.896751      0.282277
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.348230070397
  N      -3.152382     -3.956587      1.556311
  C      -2.775391     -4.884081      0.495831
  C      -2.519127     -6.240495      1.097093
  N      -3.582996     -6.584081      2.075398
  C      -4.806757     -7.050550      1.376776
  C      -6.055241     -6.914051      2.248129
  N      -6.079782     -5.651921      2.968952
  Mo     -4.095073     -4.657183      3.375979
  N      -2.636229     -5.720709      4.441142
  C      -2.083941     -6.984249      3.952700
  C      -3.041075     -7.630775      2.967016
  H      -1.887114     -7.673456      4.790429
  H      -1.112813     -6.810994      3.454198
  H      -3.876842     -8.129702      3.463408
  H      -2.516140     -8.392969      2.365239
  H      -6.940317     -6.988928      1.593740
  H      -6.103291     -7.785411      2.932575
  H      -4.922974     -6.435607      0.482479
  H      -4.668654     -8.095525      1.052117
  H      -1.855309     -4.521212      0.010991
  H      -3.548751     -4.957124     -0.292041
  H      -1.562414     -6.210333      1.630776
  H      -2.467549     -7.027050      0.325404
  C      -3.060618     -2.626095      1.220830
  C      -3.266620     -2.217020     -0.124842
  C      -3.233508     -0.886505     -0.501160
  C      -2.972027      0.077685      0.475820
  F      -2.970959      1.387003      0.113267
  C      -2.730662     -0.257250      1.786852
  C      -2.750701     -1.611221      2.188023
  C      -2.422427     -2.018866      3.528681
  O      -2.807108     -3.166358      3.983495
  C      -1.572515     -1.240519      4.424837
  F      -1.490831     -1.828392      5.652938
  S      -0.674567      0.106594      4.169752
  C      -7.234904     -5.232999      3.524375
  C      -8.251177     -6.176970      3.867916
  C      -9.417120     -5.807274      4.507239
  C      -9.611482     -4.455709      4.816627
  F     -10.744313     -4.100466      5.480997
  C      -8.693483     -3.490821      4.484328
  C      -7.497624     -3.830755      3.808702
  C      -6.578263     -2.813064      3.365150
  O      -5.360576     -3.090204      3.036524
  C      -6.948359     -1.416176      3.103708
  F      -5.842689     -0.692662      2.762744
  S      -8.391710     -0.650747      3.084345
  C      -2.054142     -5.218869      5.580643
  C      -0.703870     -5.552352      5.874262
  C      -0.040577     -5.072842      6.987323
  C      -0.742193     -4.239021      7.860596
  F      -0.091297     -3.731682      8.938954
  C      -2.053804     -3.892389      7.646816
  C      -2.764929     -4.371442      6.521797
  C      -4.157434     -4.011745      6.354632
  O      -4.791044     -4.167341      5.220113
  C      -5.039274     -3.581449      7.429569
  F      -6.279302     -3.267380      6.929610
  S      -4.857157     -3.488182      9.060037
  H      -3.516041     -2.962384     -0.877195
  H      -3.435710     -0.583170     -1.528937
  H      -2.542194      0.527443      2.514184
  H      -8.077981     -7.233855      3.668057
  H     -10.163785     -6.546810      4.799497
  H      -8.888711     -2.456172      4.753060
  H      -0.148209     -6.168490      5.170341
  H       1.007947     -5.308337      7.171169
  H      -2.541287     -3.217108      8.344614
  N      -4.992048     -6.780624      5.045910
  H      -4.287831     -7.489944      5.273760
  H      -5.821437     -7.351360      4.840101
  H      -5.207828     -6.287918      5.915950
  N      -5.609833     -4.380178      0.886939
  N      -6.305700     -3.808020      0.241414
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.361376552563
  N      -3.155074     -3.953886      1.560423
  C      -2.785677     -4.879411      0.495684
  C      -2.519679     -6.234534      1.093185
  N      -3.579128     -6.580232      2.074129
  C      -4.799680     -7.049737      1.378739
  C      -6.038557     -6.909888      2.252422
  N      -6.053548     -5.645782      2.962955
  Mo     -4.086897     -4.659751      3.375567
  N      -2.639065     -5.715229      4.436974
  C      -2.085124     -6.979055      3.952831
  C      -3.038142     -7.623332      2.969611
  H      -1.891455     -7.668035      4.791201
  H      -1.110371     -6.808637      3.460114
  H      -3.876382     -8.119423      3.465476
  H      -2.513144     -8.387108      2.369296
  H      -6.924981     -6.989889      1.599332
  H      -6.090370     -7.776264      2.942863
  H      -4.915153     -6.440597      0.479476
  H      -4.663926     -8.096769      1.058660
  H      -1.870186     -4.515716      0.002248
  H      -3.563525     -4.953337     -0.287320
  H      -1.560696     -6.205450      1.623338
  H      -2.468116     -7.019699      0.320021
  C      -3.066477     -2.622876      1.219198
  C      -3.272852     -2.217947     -0.127436
  C      -3.244870     -0.888508     -0.507691
  C      -2.989512      0.080204      0.466386
  F      -2.995845      1.388147      0.099979
  C      -2.745898     -0.250256      1.778189
  C      -2.757997     -1.603265      2.181790
  C      -2.423301     -2.006509      3.522682
  O      -2.801077     -3.151911      3.980980
  C      -1.573415     -1.222662      4.415763
  F      -1.489637     -1.808590      5.645097
  S      -0.677837      0.124659      4.154846
  C      -7.215381     -5.228716      3.515705
  C      -8.232516     -6.175187      3.846012
  C      -9.401697     -5.811133      4.484310
  C      -9.598196     -4.463709      4.805881
  F     -10.732326     -4.114706      5.470256
  C      -8.679467     -3.495559      4.482487
  C      -7.483967     -3.831975      3.806437
  C      -6.565839     -2.813813      3.360616
  O      -5.350893     -3.088789      3.030329
  C      -6.940622     -1.415553      3.101020
  F      -5.836403     -0.689252      2.763141
  S      -8.386927     -0.656364      3.080066
  C      -2.056274     -5.221900      5.584198
  C      -0.710439     -5.570851      5.880261
  C      -0.045119     -5.104134      6.997604
  C      -0.740814     -4.267246      7.872465
  F      -0.088675     -3.771848      8.954919
  C      -2.048594     -3.907043      7.656174
  C      -2.759661     -4.374976      6.527002
  C      -4.147246     -4.004896      6.351916
  O      -4.770659     -4.158399      5.212400
  C      -5.031442     -3.563345      7.418845
  F      -6.264577     -3.235984      6.909304
  S      -4.860920     -3.471082      9.051266
  H      -3.518343     -2.966159     -0.878106
  H      -3.447870     -0.589245     -1.536459
  H      -2.560024      0.536697      2.503713
  H      -8.057716     -7.229554      3.636568
  H     -10.149216     -6.553507      4.766940
  H      -8.876111     -2.462538      4.756035
  H      -0.158413     -6.188786      5.175501
  H       1.000273     -5.351476      7.183082
  H      -2.533183     -3.231385      8.355703
  N      -5.012571     -6.826863      5.124793
  H      -4.311272     -7.533741      5.369745
  H      -5.846952     -7.395114      4.935375
  H      -5.218998     -6.308815      5.982104
  N      -5.657665     -4.338644      0.800278
  N      -6.355767     -3.716547      0.204109
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.373223316425
  N      -3.159154     -3.951960      1.564098
  C      -2.795885     -4.874812      0.494303
  C      -2.518674     -6.228757      1.087557
  N      -3.574326     -6.576451      2.070249
  C      -4.792048     -7.047295      1.376498
  C      -6.018924     -6.903512      2.256719
  N      -6.018088     -5.636116      2.958287
  Mo     -4.078450     -4.661739      3.372795
  N      -2.645936     -5.709856      4.431345
  C      -2.089464     -6.974929      3.952429
  C      -3.037700     -7.617678      2.969842
  H      -1.901456     -7.662298      4.792960
  H      -1.110545     -6.807542      3.467063
  H      -3.879334     -8.108538      3.466246
  H      -2.513440     -8.384187      2.372074
  H      -6.909951     -6.985419      1.609494
  H      -6.072585     -7.763814      2.953994
  H      -4.908892     -6.442003      0.473788
  H      -4.659003     -8.095806      1.059426
  H      -1.885820     -4.508868     -0.007743
  H      -3.578901     -4.949837     -0.282857
  H      -1.557379     -6.200253      1.613971
  H      -2.467062     -7.012126      0.312521
  C      -3.074083     -2.620063      1.217268
  C      -3.281245     -2.219544     -0.130147
  C      -3.258452     -0.891107     -0.514358
  C      -3.008130      0.082095      0.456440
  F      -3.021699      1.388548      0.086146
  C      -2.761321     -0.243873      1.768897
  C      -2.766008     -1.595769      2.175035
  C      -2.423266     -1.994061      3.515708
  O      -2.794725     -3.138668      3.977341
  C      -1.573058     -1.204868      4.403972
  F      -1.486246     -1.788034      5.635167
  S      -0.681437      0.143752      4.135715
  C      -7.187468     -5.220584      3.512017
  C      -8.201838     -6.170145      3.834171
  C      -9.373416     -5.812588      4.474864
  C      -9.573136     -4.469639      4.805774
  F     -10.706535     -4.126327      5.472875
  C      -8.656036     -3.497150      4.485482
  C      -7.463035     -3.829869      3.806534
  C      -6.548962     -2.809173      3.352860
  O      -5.336868     -3.084833      3.020051
  C      -6.929173     -1.412664      3.092784
  F      -5.827874     -0.682292      2.753391
  S      -8.380368     -0.661701      3.070786
  C      -2.063391     -5.225513      5.587521
  C      -0.722052     -5.587084      5.886384
  C      -0.056829     -5.132207      7.009120
  C      -0.749037     -4.294776      7.885751
  F      -0.097996     -3.810933      8.973392
  C      -2.053765     -3.923872      7.666416
  C      -2.761993     -4.381412      6.532065
  C      -4.145476     -4.004281      6.347442
  O      -4.753064     -4.155804      5.198993
  C      -5.034979     -3.554602      7.403143
  F      -6.260720     -3.215678      6.881763
  S      -4.878680     -3.464600      9.037855
  H      -3.523436     -2.970012     -0.879434
  H      -3.462895     -0.596107     -1.544011
  H      -2.576915      0.545279      2.492467
  H      -8.025677     -7.222365      3.617630
  H     -10.119347     -6.558638      4.751677
  H      -8.854665     -2.465278      4.761604
  H      -0.170879     -6.204793      5.181202
  H       0.985719     -5.389163      7.196819
  H      -2.538068     -3.249871      8.367881
  N      -5.032222     -6.876077      5.201376
  H      -4.334283     -7.580594      5.462791
  H      -5.871258     -7.441271      5.026627
  H      -5.230627     -6.336481      6.047136
  N      -5.702591     -4.294978      0.713812
  N      -6.397561     -3.629945      0.167751
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.383779335065
  N      -3.164361     -3.950710      1.566541
  C      -2.804783     -4.870352      0.491434
  C      -2.515804     -6.223171      1.080380
  N      -3.568769     -6.573261      2.063501
  C      -4.784083     -7.044542      1.370511
  C      -5.997029     -6.895561      2.261185
  N      -5.975436     -5.623637      2.955234
  Mo     -4.071310     -4.662904      3.367274
  N      -2.655919     -5.704720      4.424072
  C      -2.095913     -6.971520      3.950613
  C      -3.038645     -7.613792      2.966881
  H      -1.915116     -7.656213      4.794409
  H      -1.112703     -6.806623      3.473466
  H      -3.884061     -8.097854      3.464400
  H      -2.515362     -8.383486      2.372336
  H      -6.895733     -6.976248      1.624411
  H      -6.050056     -7.748828      2.966028
  H      -4.904199     -6.441804      0.465902
  H      -4.653915     -8.094175      1.055482
  H      -1.900381     -4.500796     -0.018183
  H      -3.592870     -4.946564     -0.279736
  H      -1.552641     -6.194462      1.603813
  H      -2.463318     -7.004463      0.303209
  C      -3.081835     -2.617342      1.214601
  C      -3.288372     -2.221304     -0.133725
  C      -3.269559     -0.893829     -0.522031
  C      -3.023873      0.083579      0.445427
  F      -3.043243      1.388503      0.071215
  C      -2.774629     -0.238021      1.758691
  C      -2.773416     -1.588638      2.167670
  C      -2.422483     -1.982067      3.508180
  O      -2.789047     -3.126792      3.972192
  C      -1.571589     -1.190199      4.391875
  F      -1.482515     -1.772482      5.624534
  S      -0.682003      0.159380      4.118520
  C      -7.153182     -5.209429      3.513739
  C      -8.161210     -6.162610      3.833632
  C      -9.334214     -5.812124      4.479861
  C      -9.538013     -4.473503      4.816539
  F     -10.668744     -4.134841      5.488755
  C      -8.624952     -3.495840      4.493196
  C      -7.436404     -3.824846      3.809004
  C      -6.529363     -2.799434      3.342589
  O      -5.320040     -3.078034      3.006009
  C      -6.916384     -1.407997      3.080418
  F      -5.820055     -0.671645      2.734864
  S      -8.374603     -0.667773      3.058492
  C      -2.074650     -5.228807      5.589725
  C      -0.737188     -5.598676      5.891364
  C      -0.074126     -5.153632      7.020084
  C      -0.765626     -4.318358      7.898579
  F      -0.117788     -3.844584      8.991976
  C      -2.068529     -3.940895      7.676103
  C      -2.771638     -4.389942      6.536091
  C      -4.152395     -4.010295      6.341111
  O      -4.739598     -4.159731      5.181015
  C      -5.050398     -3.556633      7.383317
  F      -6.268536     -3.209081      6.848391
  S      -4.910978     -3.470787      9.020488
  H      -3.527249     -2.973398     -0.882246
  H      -3.474532     -0.603170     -1.552786
  H      -2.591011      0.553197      2.480275
  H      -7.984210     -7.213300      3.612882
  H     -10.076232     -6.562612      4.754893
  H      -8.826207     -2.464456      4.769216
  H      -0.183945     -6.214073      5.186102
  H       0.966293     -5.417016      7.210270
  H      -2.555270     -3.270666      8.379648
  N      -5.052834     -6.927920      5.274869
  H      -4.358558     -7.630051      5.552255
  H      -5.896343     -7.489774      5.113706
  H      -5.244527     -6.370183      6.110420
  N      -5.749585     -4.249920      0.631203
  N      -6.442284     -3.545669      0.132646
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.392825123265
  N      -3.169399     -3.949475      1.565586
  C      -2.811680     -4.866017      0.485562
  C      -2.510694     -6.217342      1.071502
  N      -3.562081     -6.569698      2.054085
  C      -4.775923     -7.039723      1.360749
  C      -5.974011     -6.886295      2.264926
  N      -5.929102     -5.609498      2.953217
  Mo     -4.065268     -4.662927      3.358491
  N      -2.667392     -5.701269      4.416528
  C      -2.103780     -6.969724      3.948383
  C      -3.041316     -7.610789      2.961884
  H      -1.932300     -7.651337      4.796147
  H      -1.116064     -6.807675      3.479922
  H      -3.891614     -8.085369      3.461538
  H      -2.519943     -8.384839      2.371496
  H      -6.882975     -6.963005      1.642657
  H      -6.022686     -7.732403      2.977218
  H      -4.901044     -6.437156      0.455984
  H      -4.648531     -8.089881      1.046317
  H      -1.913133     -4.492029     -0.031073
  H      -3.604958     -4.944302     -0.279495
  H      -1.546201     -6.187230      1.592725
  H      -2.456779     -6.996866      0.292533
  C      -3.088956     -2.614351      1.209758
  C      -3.294158     -2.222122     -0.139366
  C      -3.278556     -0.895307     -0.531156
  C      -3.036667      0.085452      0.433491
  F      -3.060668      1.389164      0.056151
  C      -2.785195     -0.232638      1.747397
  C      -2.779540     -1.582059      2.158843
  C      -2.420084     -1.970781      3.499203
  O      -2.782990     -3.115971      3.965298
  C      -1.568103     -1.177062      4.377402
  F      -1.476035     -1.757657      5.612086
  S      -0.681195      0.174167      4.098705
  C      -7.114399     -5.196455      3.520388
  C      -8.112813     -6.153641      3.845443
  C      -9.285162     -5.810159      4.501057
  C      -9.493256     -4.474871      4.839532
  F     -10.618885     -4.139602      5.520343
  C      -8.587160     -3.491665      4.505984
  C      -7.404973     -3.817042      3.813213
  C      -6.508111     -2.785481      3.329324
  O      -5.301205     -3.068143      2.987520
  C      -6.903305     -1.401728      3.063716
  F      -5.813808     -0.658040      2.707762
  S      -8.369829     -0.673725      3.042860
  C      -2.089435     -5.232980      5.591701
  C      -0.754976     -5.606443      5.896835
  C      -0.096661     -5.168810      7.032212
  C      -0.790920     -4.338431      7.912332
  F      -0.148755     -3.872948      9.012367
  C      -2.093173     -3.958904      7.686028
  C      -2.788667     -4.401358      6.539467
  C      -4.167944     -4.023332      6.333497
  O      -4.732145     -4.169219      5.160112
  C      -5.076744     -3.569629      7.361860
  F      -6.287390     -3.215202      6.813389
  S      -4.954922     -3.490540      9.001419
  H      -3.529933     -2.975042     -0.887853
  H      -3.483643     -0.608421     -1.562913
  H      -2.601382      0.560098      2.467408
  H      -7.935534     -7.203574      3.623759
  H     -10.020824     -6.565516      4.779481
  H      -8.791491     -2.460185      4.779369
  H      -0.196725     -6.217502      5.191938
  H       0.942365     -5.435130      7.225644
  H      -2.585306     -3.294608      8.391625
  N      -5.075157     -6.982770      5.342785
  H      -4.384372     -7.682590      5.635443
  H      -5.922968     -7.541610      5.194911
  H      -5.261438     -6.409218      6.169258
  N      -5.795863     -4.206054      0.548951
  N      -6.484150     -3.468922      0.096142
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.399858515323
  N      -3.173924     -3.946509      1.560712
  C      -2.815233     -4.860297      0.477273
  C      -2.502404     -6.209211      1.061626
  N      -3.554509     -6.564870      2.040915
  C      -4.769412     -7.030059      1.346871
  C      -5.954275     -6.878335      2.265360
  N      -5.891567     -5.599343      2.951988
  Mo     -4.061928     -4.662174      3.348018
  N      -2.678250     -5.700009      4.409262
  C      -2.110669     -6.968103      3.942897
  C      -3.045723     -7.606960      2.954426
  H      -1.947754     -7.647830      4.793443
  H      -1.119621     -6.807721      3.481163
  H      -3.901966     -8.067473      3.458414
  H      -2.528731     -8.387701      2.369138
  H      -6.873967     -6.951094      1.659391
  H      -5.991716     -7.719222      2.983005
  H      -4.901086     -6.422529      0.445828
  H      -4.643793     -8.079386      1.028966
  H      -1.922839     -4.480721     -0.045769
  H      -3.613332     -4.943253     -0.281823
  H      -1.538451     -6.175275      1.583924
  H      -2.444040     -6.987379      0.281441
  C      -3.092594     -2.609604      1.204753
  C      -3.291469     -2.218411     -0.145149
  C      -3.275669     -0.891697     -0.538081
  C      -3.037936      0.089998      0.426281
  F      -3.062964      1.393349      0.048214
  C      -2.787861     -0.227381      1.740761
  C      -2.781918     -1.576281      2.152818
  C      -2.416247     -1.962739      3.493262
  O      -2.777694     -3.107089      3.960352
  C      -1.561856     -1.169822      4.368069
  F      -1.468641     -1.750408      5.603723
  S      -0.675677      0.182173      4.087692
  C      -7.080265     -5.187189      3.531105
  C      -8.067601     -6.147348      3.871516
  C      -9.235272     -5.807703      4.540051
  C      -9.445977     -4.473212      4.874989
  F     -10.563985     -4.138772      5.567592
  C      -8.549454     -3.486179      4.523105
  C      -7.375075     -3.809928      3.818695
  C      -6.489486     -2.773211      3.315940
  O      -5.284764     -3.056968      2.966634
  C      -6.894960     -1.396835      3.046839
  F      -5.813658     -0.645305      2.679516
  S      -8.369959     -0.683086      3.024771
  C      -2.105765     -5.237927      5.592823
  C      -0.771502     -5.607826      5.899444
  C      -0.118611     -5.173972      7.039998
  C      -0.818465     -4.351201      7.922242
  F      -0.182700     -3.891025      9.028070
  C      -2.121841     -3.975600      7.693761
  C      -2.809790     -4.414655      6.541786
  C      -4.188320     -4.041110      6.326308
  O      -4.731511     -4.179510      5.141700
  C      -5.107077     -3.588368      7.343213
  F      -6.310043     -3.226490      6.782866
  S      -5.002345     -3.518505      8.984764
  H      -3.522994     -2.970955     -0.895249
  H      -3.477132     -0.606271     -1.570944
  H      -2.603244      0.565278      2.460740
  H      -7.891221     -7.197539      3.651965
  H      -9.963878     -6.566345      4.827662
  H      -8.756503     -2.453654      4.790593
  H      -0.206962     -6.212345      5.193970
  H       0.920415     -5.438606      7.235602
  H      -2.621259     -3.319599      8.402117
  N      -5.100946     -7.036976      5.409099
  H      -4.412643     -7.732495      5.717799
  H      -5.953902     -7.591763      5.277168
  H      -5.281368     -6.445459      6.224376
  N      -5.851460     -4.163017      0.471005
  N      -6.542839     -3.458370     -0.023790
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.405572065179
  N      -3.175233     -3.943995      1.552033
  C      -2.814662     -4.856163      0.467320
  C      -2.491671     -6.201839      1.053559
  N      -3.545313     -6.559698      2.029116
  C      -4.762676     -7.018866      1.333249
  C      -5.938343     -6.874322      2.263519
  N      -5.863856     -5.594232      2.950351
  Mo     -4.059129     -4.662256      3.336135
  N      -2.686550     -5.702265      4.404854
  C      -2.114792     -6.968787      3.938465
  C      -3.049667     -7.603679      2.948022
  H      -1.959823     -7.648086      4.790634
  H      -1.121324     -6.809460      3.481839
  H      -3.911965     -8.047278      3.457311
  H      -2.539129     -8.392126      2.367607
  H      -6.867224     -6.944206      1.672827
  H      -5.960971     -7.711522      2.985139
  H      -4.901161     -6.403064      0.438538
  H      -4.636833     -8.066291      1.009132
  H      -1.928202     -4.471774     -0.061811
  H      -3.617410     -4.945761     -0.286203
  H      -1.529266     -6.162249      1.578314
  H      -2.428127     -6.980236      0.273716
  C      -3.093118     -2.605840      1.198731
  C      -3.288858     -2.213373     -0.150970
  C      -3.273669     -0.886069     -0.542761
  C      -3.037300      0.094702      0.422697
  F      -3.063892      1.398591      0.046335
  C      -2.786272     -0.224269      1.736767
  C      -2.780345     -1.573363      2.147748
  C      -2.408684     -1.959420      3.488083
  O      -2.769916     -3.101992      3.956712
  C      -1.550051     -1.167427      4.359430
  F      -1.453865     -1.748504      5.595145
  S      -0.663655      0.184204      4.076942
  C      -7.052670     -5.182078      3.541417
  C      -8.028075     -6.143963      3.903485
  C      -9.189411     -5.804695      4.584248
  C      -9.402873     -4.468307      4.908315
  F     -10.512868     -4.131911      5.612285
  C      -8.517646     -3.479617      4.532611
  C      -7.350289     -3.804437      3.817748
  C      -6.475368     -2.765687      3.295141
  O      -5.270955     -3.047976      2.940128
  C      -6.891921     -1.396839      3.017671
  F      -5.818083     -0.637828      2.642055
  S      -8.374634     -0.697391      2.990346
  C      -2.120754     -5.243100      5.593977
  C      -0.785032     -5.605175      5.901463
  C      -0.137612     -5.170732      7.045194
  C      -0.844635     -4.355617      7.928626
  F      -0.214945     -3.896523      9.038467
  C      -2.150154     -3.987838      7.698583
  C      -2.831269     -4.426759      6.542516
  C      -4.210077     -4.059542      6.319098
  O      -4.736550     -4.189541      5.126012
  C      -5.136495     -3.610774      7.329410
  F      -6.333585     -3.241759      6.762369
  S      -5.043544     -3.552683      8.972246
  H      -3.518666     -2.964846     -0.902782
  H      -3.473910     -0.600061     -1.575763
  H      -2.599823      0.567281      2.457647
  H      -7.851395     -7.195597      3.691051
  H      -9.910302     -6.565006      4.886266
  H      -8.727823     -2.445204      4.790356
  H      -0.214241     -6.203478      5.195540
  H       0.902453     -5.430287      7.242475
  H      -2.657258     -3.339845      8.408926
  N      -5.129194     -7.095705      5.470161
  H      -4.442997     -7.786058      5.793575
  H      -5.986520     -7.646312      5.353846
  H      -5.304238     -6.485870      6.272878
  N      -5.906725     -4.117110      0.391210
  N      -6.597041     -3.403623     -0.088314
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.410131635795
  N      -3.175261     -3.939281      1.542911
  C      -2.816196     -4.850611      0.456639
  C      -2.483524     -6.193593      1.045706
  N      -3.536418     -6.552221      2.020378
  C      -4.756980     -7.008492      1.324932
  C      -5.922997     -6.870192      2.268380
  N      -5.835182     -5.586137      2.953099
  Mo     -4.054434     -4.657723      3.325855
  N      -2.690136     -5.703147      4.403192
  C      -2.114518     -6.967761      3.935134
  C      -3.050910     -7.598380      2.942865
  H      -1.965941     -7.647604      4.787948
  H      -1.119536     -6.808784      3.482165
  H      -3.917339     -8.025827      3.459670
  H      -2.547971     -8.393761      2.365764
  H      -6.861718     -6.937876      1.694453
  H      -5.930482     -7.702056      2.995745
  H      -4.904543     -6.386204      0.436283
  H      -4.630120     -8.054244      0.996166
  H      -1.936328     -4.462885     -0.080548
  H      -3.625614     -4.945793     -0.289404
  H      -1.521653     -6.148077      1.570844
  H      -2.416933     -6.972925      0.266858
  C      -3.094112     -2.600566      1.191318
  C      -3.290735     -2.208369     -0.158015
  C      -3.277553     -0.880860     -0.549971
  C      -3.041075      0.099988      0.415220
  F      -3.070615      1.404069      0.039610
  C      -2.786249     -0.219267      1.728648
  C      -2.778197     -1.568153      2.139630
  C      -2.398562     -1.952559      3.479156
  O      -2.758820     -3.093610      3.951522
  C      -1.534058     -1.159863      4.343545
  F      -1.432263     -1.738795      5.580168
  S      -0.647417      0.190406      4.054123
  C      -7.024931     -5.173294      3.553906
  C      -7.988573     -6.136973      3.933756
  C      -9.147262     -5.797897      4.620411
  C      -9.365958     -4.459058      4.929709
  F     -10.471628     -4.120066      5.638819
  C      -8.490973     -3.468905      4.532858
  C      -7.327168     -3.795163      3.813409
  C      -6.462516     -2.755142      3.271229
  O      -5.256345     -3.035927      2.913599
  C      -6.890403     -1.396395      2.979621
  F      -5.823905     -0.629697      2.595193
  S      -8.381995     -0.713020      2.939556
  C      -2.131092     -5.248258      5.597185
  C      -0.795109     -5.605283      5.906891
  C      -0.154636     -5.173754      7.056038
  C      -0.869222     -4.368065      7.941916
  F      -0.246477     -3.913009      9.057690
  C      -2.176273     -4.006770      7.709640
  C      -2.849492     -4.441996      6.547401
  C      -4.229428     -4.082035      6.317094
  O      -4.740693     -4.199993      5.115379
  C      -5.163695     -3.645685      7.324470
  F      -6.356284     -3.269498      6.754347
  S      -5.081096     -3.611666      8.968915
  H      -3.520513     -2.959697     -0.910055
  H      -3.479155     -0.595329     -1.582795
  H      -2.597391      0.572013      2.449268
  H      -7.809268     -7.190060      3.730449
  H      -9.861027     -6.559749      4.935130
  H      -8.706464     -2.432448      4.778016
  H      -0.218160     -6.196691      5.199959
  H       0.885923     -5.429374      7.255856
  H      -2.691194     -3.368374      8.423132
  N      -5.152176     -7.155957      5.532286
  H      -4.466349     -7.840069      5.869316
  H      -6.013351     -7.703413      5.431908
  H      -5.321561     -6.527200      6.322316
  N      -5.963969     -4.067430      0.318459
  N      -6.655878     -3.340929     -0.143260
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.413526383053
  N      -3.175046     -3.934692      1.534646
  C      -2.820512     -4.846468      0.446734
  C      -2.478358     -6.186360      1.038822
  N      -3.530116     -6.544813      2.013559
  C      -4.753952     -6.996854      1.319149
  C      -5.909223     -6.867641      2.276257
  N      -5.810092     -5.580257      2.959088
  Mo     -4.049255     -4.652431      3.317644
  N      -2.692532     -5.704938      4.403047
  C      -2.112735     -6.965870      3.930094
  C      -3.054073     -7.592636      2.939738
  H      -1.965469     -7.647348      4.781671
  H      -1.118421     -6.805143      3.476350
  H      -3.923425     -8.002191      3.466774
  H      -2.561755     -8.396566      2.365944
  H      -6.856826     -6.934580      1.718478
  H      -5.900791     -7.694562      3.007812
  H      -4.911249     -6.364845      0.438889
  H      -4.626495     -8.039499      0.981506
  H      -1.947687     -4.457054     -0.100262
  H      -3.637700     -4.946791     -0.290146
  H      -1.516951     -6.133833      1.564180
  H      -2.408458     -6.967225      0.261761
  C      -3.093394     -2.595414      1.184986
  C      -3.291653     -2.202224     -0.163791
  C      -3.279317     -0.874408     -0.554939
  C      -3.041092      0.105737      0.410448
  F      -3.072803      1.410152      0.036331
  C      -2.782295     -0.214580      1.722855
  C      -2.773076     -1.563544      2.133230
  C      -2.386981     -1.947001      3.471745
  O      -2.747709     -3.086137      3.947976
  C      -1.516186     -1.155803      4.330389
  F      -1.411947     -1.733471      5.567816
  S      -0.626338      0.191470      4.035752
  C      -7.001494     -5.165538      3.566174
  C      -7.953971     -6.129745      3.965486
  C      -9.112293     -5.788579      4.653240
  C      -9.338344     -4.446828      4.941608
  F     -10.442125     -4.103135      5.651065
  C      -8.472679     -3.456899      4.523457
  C      -7.309723     -3.786595      3.804786
  C      -6.452928     -2.746718      3.246321
  O      -5.244030     -3.025758      2.890460
  C      -6.890862     -1.398575      2.937713
  F      -5.830152     -0.623595      2.550516
  S      -8.390863     -0.731935      2.878188
  C      -2.138676     -5.253567      5.600371
  C      -0.801317     -5.603048      5.911601
  C      -0.166904     -5.171172      7.064272
  C      -0.888747     -4.373837      7.951611
  F      -0.271759     -3.919021      9.070949
  C      -2.197991     -4.021365      7.718143
  C      -2.864524     -4.456644      6.552053
  C      -4.246159     -4.106740      6.316734
  O      -4.744174     -4.210385      5.107853
  C      -5.189544     -3.688086      7.322184
  F      -6.377193     -3.302773      6.749306
  S      -5.119106     -3.684486      8.967703
  H      -3.523100     -2.952515     -0.916260
  H      -3.482879     -0.588418     -1.587192
  H      -2.590718      0.576087      2.443392
  H      -7.770065     -7.184340      3.776453
  H      -9.819298     -6.550559      4.981890
  H      -8.694473     -2.418183      4.752538
  H      -0.218436     -6.187607      5.203980
  H       0.874816     -5.420531      7.265728
  H      -2.719969     -3.391381      8.433822
  N      -5.169107     -7.217259      5.590192
  H      -4.481883     -7.893723      5.939713
  H      -6.033737     -7.761679      5.505520
  H      -5.332628     -6.569932      6.366333
  N      -6.019883     -4.021736      0.254096
  N      -6.709248     -3.278788     -0.177530
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.416268812965
  N      -3.174341     -3.929775      1.526087
  C      -2.823077     -4.842792      0.438036
  C      -2.474282     -6.179252      1.034619
  N      -3.526062     -6.537074      2.009129
  C      -4.753980     -6.984093      1.315380
  C      -5.902235     -6.866506      2.282299
  N      -5.796213     -5.577682      2.965367
  Mo     -4.045535     -4.646606      3.310758
  N      -2.692856     -5.707445      4.404040
  C      -2.108021     -6.962636      3.923777
  C      -3.056882     -7.586388      2.938187
  H      -1.957133     -7.646955      4.772428
  H      -1.116349     -6.797324      3.465808
  H      -3.926913     -7.978738      3.477429
  H      -2.576437     -8.398849      2.366757
  H      -6.856334     -6.932840      1.737065
  H      -5.880012     -7.690227      3.016215
  H      -4.920118     -6.339504      0.445987
  H      -4.625276     -8.022521      0.965566
  H      -1.955987     -4.452823     -0.117274
  H      -3.646729     -4.947935     -0.290857
  H      -1.514314     -6.118699      1.561705
  H      -2.399753     -6.962480      0.260350
  C      -3.089646     -2.590575      1.179665
  C      -3.287176     -2.195264     -0.168651
  C      -3.272557     -0.867103     -0.558123
  C      -3.031188      0.111348      0.408327
  F      -3.061292      1.416296      0.036189
  C      -2.770999     -0.211187      1.719848
  C      -2.764790     -1.560494      2.129164
  C      -2.375831     -1.944044      3.466972
  O      -2.738536     -3.080568      3.946799
  C      -1.499267     -1.154364      4.321410
  F      -1.395195     -1.729269      5.560220
  S      -0.606503      0.189803      4.022250
  C      -6.987756     -5.160099      3.576621
  C      -7.928969     -6.123569      3.999265
  C      -9.086435     -5.777869      4.686652
  C      -9.320117     -4.432322      4.949981
  F     -10.422683     -4.082376      5.658193
  C      -8.463633     -3.444381      4.509063
  C      -7.300637     -3.779184      3.792578
  C      -6.448805     -2.741659      3.220248
  O      -5.236420     -3.018126      2.869282
  C      -6.894752     -1.402925      2.891568
  F      -5.838022     -0.623043      2.501375
  S      -8.401253     -0.752229      2.803251
  C      -2.143318     -5.257508      5.602231
  C      -0.802976     -5.595568      5.913395
  C      -0.173967     -5.159843      7.067626
  C      -0.903515     -4.371012      7.956450
  F      -0.291395     -3.913201      9.077425
  C      -2.216045     -4.030963      7.723412
  C      -2.876530     -4.469584      6.555255
  C      -4.260465     -4.132423      6.317733
  O      -4.750007     -4.220159      5.104932
  C      -5.210222     -3.735931      7.326196
  F      -6.395890     -3.342171      6.756797
  S      -5.144633     -3.768784      8.971457
  H      -3.521061     -2.944202     -0.921801
  H      -3.476260     -0.579484     -1.589897
  H      -2.575879      0.578297      2.440813
  H      -7.738791     -7.180022      3.827796
  H      -9.786971     -6.538408      5.031774
  H      -8.691700     -2.403318      4.720502
  H      -0.214568     -6.173272      5.204527
  H       0.869815     -5.400050      7.269665
  H      -2.745099     -3.409291      8.441189
  N      -5.182517     -7.283868      5.643596
  H      -4.492537     -7.951132      6.004028
  H      -6.049576     -7.825965      5.575292
  H      -5.339735     -6.616852      6.404062
  N      -6.082128     -3.978322      0.198273
  N      -6.772805     -3.218022     -0.204723
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.418550773570
  N      -3.169703     -3.924565      1.517280
  C      -2.824160     -4.840212      0.429846
  C      -2.471772     -6.173485      1.032267
  N      -3.523479     -6.528896      2.007781
  C      -4.755433     -6.970583      1.314731
  C      -5.899035     -6.865794      2.288782
  N      -5.790489     -5.576380      2.971682
  Mo     -4.040259     -4.639130      3.304547
  N      -2.690966     -5.709603      4.406871
  C      -2.100827     -6.957776      3.918147
  C      -3.059268     -7.579125      2.939511
  H      -1.942420     -7.645757      4.762524
  H      -1.113295     -6.786198      3.453463
  H      -3.928622     -7.955220      3.491797
  H      -2.591850     -8.400391      2.370184
  H      -6.857695     -6.933413      1.752664
  H      -5.864852     -7.687607      3.024219
  H      -4.929495     -6.311864      0.457385
  H      -4.625214     -8.003856      0.950730
  H      -1.961908     -4.452144     -0.133944
  H      -3.654321     -4.948880     -0.291159
  H      -1.513326     -6.104915      1.560857
  H      -2.393403     -6.960327      0.262101
  C      -3.082734     -2.586197      1.174453
  C      -3.283021     -2.188367     -0.172927
  C      -3.268457     -0.859836     -0.559991
  C      -3.023672      0.116797      0.407793
  F      -3.055145      1.422401      0.038264
  C      -2.760275     -0.208039      1.717955
  C      -2.754329     -1.558046      2.125879
  C      -2.363127     -1.942402      3.462832
  O      -2.728875     -3.076025      3.946721
  C      -1.479874     -1.155295      4.314173
  F      -1.374831     -1.730219      5.552603
  S      -0.579083      0.182158      4.011001
  C      -6.979650     -5.154693      3.585241
  C      -7.910981     -6.115641      4.032106
  C      -9.067373     -5.762997      4.717507
  C      -9.307918     -4.413242      4.953452
  F     -10.410166     -4.055506      5.658391
  C      -8.459155     -3.429177      4.489915
  C      -7.295512     -3.771261      3.777434
  C      -6.446310     -2.738588      3.192774
  O      -5.230060     -3.012000      2.849257
  C      -6.898967     -1.407594      2.844953
  F      -5.844436     -0.620641      2.461984
  S      -8.410153     -0.770286      2.734816
  C      -2.145661     -5.259852      5.604449
  C      -0.802506     -5.587051      5.916061
  C      -0.178589     -5.145721      7.070718
  C      -0.915141     -4.363122      7.959724
  F      -0.306844     -3.899727      9.080589
  C      -2.230848     -4.035503      7.727086
  C      -2.886092     -4.479739      6.558183
  C      -4.272922     -4.156312      6.318964
  O      -4.756978     -4.226652      5.104432
  C      -5.230528     -3.788934      7.332204
  F      -6.414913     -3.387965      6.767118
  S      -5.171591     -3.869041      8.975796
  H      -3.521137     -2.936317     -0.925852
  H      -3.475166     -0.570089     -1.590548
  H      -2.563366      0.580499      2.439338
  H      -7.713504     -7.173833      3.879614
  H      -9.762437     -6.520182      5.080436
  H      -8.692869     -2.385582      4.682223
  H      -0.209763     -6.159569      5.206344
  H       0.867198     -5.376424      7.273493
  H      -2.765555     -3.419689      8.445557
  N      -5.190210     -7.353443      5.690769
  H      -4.496298     -8.010255      6.061526
  H      -6.058656     -7.894361      5.638705
  H      -5.341272     -6.665040      6.433037
  N      -6.139727     -3.940208      0.144229
  N      -6.828806     -3.168478     -0.234039
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.420435307744
  N      -3.164458     -3.918676      1.510039
  C      -2.827586     -4.837218      0.422774
  C      -2.474212     -6.168225      1.029945
  N      -3.524661     -6.520485      2.008372
  C      -4.760041     -6.959311      1.318069
  C      -5.899064     -6.864475      2.298389
  N      -5.789915     -5.574067      2.979638
  Mo     -4.035615     -4.628894      3.299509
  N      -2.688173     -5.708761      4.408849
  C      -2.090935     -6.948393      3.909897
  C      -3.059397     -7.570366      2.940722
  H      -1.919001     -7.640567      4.748325
  H      -1.109617     -6.766903      3.435800
  H      -3.925055     -7.935629      3.506451
  H      -2.603682     -8.398381      2.371898
  H      -6.861039     -6.935410      1.768956
  H      -5.855776     -7.685002      3.035137
  H      -4.941920     -6.288688      0.471521
  H      -4.628616     -7.987631      0.940956
  H      -1.969311     -4.452906     -0.149384
  H      -3.664337     -4.946459     -0.290485
  H      -1.516653     -6.092747      1.558934
  H      -2.393355     -6.958933      0.264148
  C      -3.074337     -2.581496      1.169928
  C      -3.276306     -2.181366     -0.176810
  C      -3.258793     -0.852750     -0.562056
  C      -3.008765      0.122200      0.406625
  F      -3.037326      1.428165      0.038587
  C      -2.744403     -0.204774      1.715838
  C      -2.742717     -1.555270      2.122912
  C      -2.352790     -1.940340      3.459113
  O      -2.723063     -3.070945      3.947223
  C      -1.464287     -1.154762      4.307580
  F      -1.365321     -1.723162      5.549148
  S      -0.562444      0.180599      4.000816
  C      -6.975912     -5.147720      3.593490
  C      -7.897984     -6.105832      4.063398
  C      -9.054219     -5.746469      4.745037
  C      -9.302069     -4.393324      4.953733
  F     -10.404911     -4.028452      5.654070
  C      -8.460088     -3.413289      4.469565
  C      -7.295491     -3.762360      3.761685
  C      -6.446604     -2.735609      3.166414
  O      -5.226274     -3.006496      2.832882
  C      -6.902841     -1.411481      2.797801
  F      -5.849190     -0.626594      2.407893
  S      -8.417188     -0.789611      2.647816
  C      -2.145768     -5.259449      5.605646
  C      -0.800396     -5.577604      5.918291
  C      -0.182209     -5.132990      7.074573
  C      -0.925606     -4.357536      7.964676
  F      -0.321502     -3.890875      9.086374
  C      -2.244090     -4.041050      7.731944
  C      -2.892754     -4.488643      6.561068
  C      -4.282377     -4.179419      6.321223
  O      -4.763419     -4.230081      5.106536
  C      -5.245547     -3.848452      7.343032
  F      -6.429804     -3.434861      6.788728
  S      -5.183744     -3.980359      8.982789
  H      -3.519410     -2.928611     -0.928924
  H      -3.467149     -0.560804     -1.591637
  H      -2.544472      0.582842      2.437469
  H      -7.691095     -7.165017      3.930230
  H      -9.743997     -6.499737      5.125702
  H      -8.699460     -2.367806      4.643554
  H      -0.203803     -6.144903      5.207431
  H       0.865146     -5.355288      7.278691
  H      -2.784553     -3.431608      8.451562
  N      -5.191151     -7.424810      5.735011
  H      -4.491880     -8.068955      6.116259
  H      -6.059816     -7.965775      5.700437
  H      -5.335923     -6.713425      6.456205
  N      -6.200024     -3.907425      0.096890
  N      -6.889531     -3.121502     -0.255903
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.421943691332
  N      -3.155843     -3.913254      1.503199
  C      -2.830862     -4.835504      0.415736
  C      -2.478542     -6.164983      1.026740
  N      -3.527135     -6.512827      2.009544
  C      -4.764889     -6.951113      1.323203
  C      -5.898832     -6.863582      2.309754
  N      -5.791237     -5.571186      2.986441
  Mo     -4.030479     -4.616943      3.293302
  N      -2.686337     -5.704829      4.410161
  C      -2.081301     -6.935894      3.902257
  C      -3.058593     -7.560589      2.943205
  H      -1.893747     -7.631530      4.734606
  H      -1.106742     -6.743523      3.418498
  H      -3.920270     -7.917941      3.520787
  H      -2.612920     -8.394844      2.375624
  H      -6.863302     -6.940983      1.785573
  H      -5.847349     -7.682851      3.047907
  H      -4.954175     -6.271927      0.484806
  H      -4.632642     -7.975184      0.935300
  H      -1.975779     -4.456959     -0.164945
  H      -3.674358     -4.942808     -0.289868
  H      -1.520988     -6.084190      1.554669
  H      -2.397083     -6.959892      0.265590
  C      -3.063073     -2.577420      1.164318
  C      -3.266806     -2.176061     -0.182200
  C      -3.247587     -0.847650     -0.566401
  C      -2.994621      0.126526      0.402823
  F      -3.022507      1.432551      0.035402
  C      -2.730217     -0.201267      1.711571
  C      -2.730189     -1.552141      2.118608
  C      -2.344583     -1.937751      3.455139
  O      -2.721404     -3.065478      3.946595
  C      -1.451361     -1.156864      4.304102
  F      -1.349508     -1.731970      5.541947
  S      -0.530688      0.164223      3.993750
  C      -6.973387     -5.139772      3.600122
  C      -7.887394     -6.093679      4.093815
  C      -9.042909     -5.726484      4.772085
  C      -9.297404     -4.370401      4.953120
  F     -10.400904     -3.997557      5.648146
  C      -8.461073     -3.395474      4.448693
  C      -7.295932     -3.752903      3.746007
  C      -6.447154     -2.733085      3.140118
  O      -5.223261     -3.002150      2.817000
  C      -6.907071     -1.414367      2.756422
  F      -5.853054     -0.616989      2.393171
  S      -8.423717     -0.798674      2.603802
  C      -2.147057     -5.255599      5.606772
  C      -0.799857     -5.565056      5.921531
  C      -0.187746     -5.115664      7.079020
  C      -0.937712     -4.345141      7.968337
  F      -0.337649     -3.872800      9.089688
  C      -2.258746     -4.039552      7.734528
  C      -2.900867     -4.493161      6.562814
  C      -4.293672     -4.198951      6.321162
  O      -4.771062     -4.229615      5.106421
  C      -5.264990     -3.908850      7.349183
  F      -6.452558     -3.496878      6.802441
  S      -5.207938     -4.107034      8.982078
  H      -3.514103     -2.923347     -0.932969
  H      -3.457871     -0.554210     -1.595157
  H      -2.530806      0.586302      2.433222
  H      -7.670871     -7.153374      3.980848
  H      -9.727687     -6.474566      5.171524
  H      -8.705447     -2.348013      4.603600
  H      -0.199205     -6.127939      5.210463
  H       0.861018     -5.329345      7.285201
  H      -2.804281     -3.433777      8.453224
  N      -5.186233     -7.497225      5.771780
  H      -4.480720     -8.126823      6.164482
  H      -6.053962     -8.039673      5.754743
  H      -5.326185     -6.761866      6.469233
  N      -6.253449     -3.884675      0.047545
  N      -6.941216     -3.088405     -0.282954
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.423183399173
  N      -3.146520     -3.907580      1.498309
  C      -2.837991     -4.833126      0.408828
  C      -2.487464     -6.162475      1.020513
  N      -3.532330     -6.505706      2.009865
  C      -4.772749     -6.944775      1.329994
  C      -5.900075     -6.861392      2.324149
  N      -5.793533     -5.566421      2.994063
  Mo     -4.025272     -4.603902      3.287629
  N      -2.685078     -5.699601      4.409359
  C      -2.072386     -6.922217      3.892378
  C      -3.057686     -7.550717      2.944016
  H      -1.867380     -7.620904      4.718168
  H      -1.105254     -6.718129      3.398512
  H      -3.914720     -7.903452      3.532160
  H      -2.620508     -8.389958      2.377127
  H      -6.867167     -6.946647      1.805500
  H      -5.840971     -7.679493      3.063543
  H      -4.969480     -6.260383      0.497090
  H      -4.641210     -7.965646      0.933755
  H      -1.986342     -4.461441     -0.181348
  H      -3.689439     -4.935444     -0.287962
  H      -1.528125     -6.079179      1.544579
  H      -2.408738     -6.960753      0.262878
  C      -3.051037     -2.572721      1.160030
  C      -3.256110     -2.169375     -0.186187
  C      -3.233153     -0.840968     -0.568862
  C      -2.975389      0.131806      0.401049
  F      -2.999123      1.437947      0.034169
  C      -2.712353     -0.197524      1.709458
  C      -2.717437     -1.548816      2.115953
  C      -2.339008     -1.935192      3.453109
  O      -2.724333     -3.060308      3.946703
  C      -1.445058     -1.157308      4.304350
  F      -1.364196     -1.719991      5.549233
  S      -0.527318      0.166405      3.997961
  C      -6.971568     -5.129832      3.607873
  C      -7.878022     -6.079711      4.123728
  C      -9.031634     -5.705930      4.801081
  C      -9.291391     -4.347950      4.959249
  F     -10.393683     -3.968396      5.652457
  C      -8.460810     -3.377527      4.436183
  C      -7.297231     -3.741760      3.734564
  C      -6.447237     -2.728630      3.118849
  O      -5.220689     -2.998398      2.805689
  C      -6.905504     -1.413940      2.718877
  F      -5.850504     -0.629831      2.330488
  S      -8.422284     -0.813126      2.517731
  C      -2.148059     -5.252278      5.606895
  C      -0.799658     -5.554851      5.923888
  C      -0.194114     -5.103695      7.084111
  C      -0.950730     -4.339982      7.974047
  F      -0.355428     -3.865670      9.096920
  C      -2.273869     -4.043552      7.738753
  C      -2.908187     -4.499314      6.564256
  C      -4.303706     -4.218493      6.321213
  O      -4.777755     -4.227021      5.106482
  C      -5.280395     -3.969636      7.356081
  F      -6.466362     -3.537987      6.822473
  S      -5.216315     -4.215963      8.981939
  H      -3.507972     -2.915930     -0.936187
  H      -3.444416     -0.545340     -1.596801
  H      -2.511869      0.589330      2.431616
  H      -7.652077     -7.139308      4.028673
  H      -9.710935     -6.449027      5.218825
  H      -8.708709     -2.328930      4.576643
  H      -0.194697     -6.112378      5.212133
  H       0.855620     -5.310216      7.292796
  H      -2.824937     -3.442887      8.457509
  N      -5.174595     -7.572262      5.802385
  H      -4.462157     -8.185717      6.206848
  H      -6.040399     -8.117212      5.803783
  H      -5.310919     -6.813023      6.474300
  N      -6.303545     -3.868739      0.000527
  N      -6.988407     -3.062912     -0.307940
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.424264331715
  N      -3.137103     -3.902678      1.495008
  C      -2.848914     -4.831162      0.402101
  C      -2.499409     -6.161286      1.011593
  N      -3.537978     -6.500048      2.009863
  C      -4.781444     -6.943518      1.340150
  C      -5.900096     -6.859565      2.343777
  N      -5.792690     -5.559870      3.002700
  Mo     -4.020576     -4.589411      3.281844
  N      -2.684982     -5.690025      4.406751
  C      -2.063185     -6.904614      3.882480
  C      -3.053680     -7.540356      2.944808
  H      -1.839761     -7.604106      4.702842
  H      -1.103827     -6.687655      3.378986
  H      -3.905079     -7.892115      3.542356
  H      -2.621436     -8.382856      2.378883
  H      -6.870690     -6.953960      1.832827
  H      -5.832869     -7.674457      3.086334
  H      -4.986656     -6.259538      0.508673
  H      -4.651392     -7.963426      0.940990
  H      -2.001781     -4.466622     -0.199070
  H      -3.709876     -4.926404     -0.283803
  H      -1.536231     -6.078140      1.528544
  H      -2.426922     -6.961922      0.256097
  C      -3.038251     -2.568755      1.155194
  C      -3.242859     -2.165342     -0.191343
  C      -3.213606     -0.837478     -0.574622
  C      -2.950373      0.134935      0.394487
  F      -2.966892      1.440581      0.025960
  C      -2.690829     -0.194281      1.703473
  C      -2.703833     -1.545190      2.111365
  C      -2.337264     -1.930356      3.451145
  O      -2.733774     -3.052655      3.945812
  C      -1.446583     -1.155394      4.307424
  F      -1.372507     -1.719194      5.552212
  S      -0.515260      0.158745      4.001295
  C      -6.968576     -5.118359      3.615685
  C      -7.868290     -6.064090      4.151132
  C      -9.022759     -5.684537      4.823582
  C      -9.290165     -4.325462      4.956734
  F     -10.394666     -3.939598      5.642627
  C      -8.464205     -3.359438      4.417439
  C      -7.299203     -3.730123      3.722394
  C      -6.447812     -2.723143      3.097988
  O      -5.218749     -2.994849      2.795631
  C      -6.904870     -1.412663      2.684945
  F      -5.847831     -0.622921      2.313250
  S      -8.421903     -0.814406      2.478018
  C      -2.149876     -5.244767      5.606102
  C      -0.800205     -5.539508      5.924365
  C      -0.201328     -5.087641      7.087945
  C      -0.965027     -4.332773      7.979481
  F      -0.374978     -3.857669      9.104601
  C      -2.290523     -4.046215      7.743143
  C      -2.916568     -4.503002      6.565326
  C      -4.314651     -4.235207      6.320530
  O      -4.783536     -4.221446      5.104865
  C      -5.296206     -4.027720      7.360021
  F      -6.486961     -3.597182      6.837470
  S      -5.229791     -4.335972      8.975124
  H      -3.498936     -2.911481     -0.940292
  H      -3.424020     -0.541060     -1.602515
  H      -2.488776      0.592485      2.425401
  H      -7.632929     -7.123331      4.075116
  H      -9.697311     -6.422885      5.257174
  H      -8.717554     -2.309895      4.540519
  H      -0.190051     -6.090171      5.211562
  H       0.849467     -5.286631      7.298745
  H      -2.847760     -3.451836      8.462532
  N      -5.156431     -7.646835      5.831295
  H      -4.436606     -8.241387      6.249616
  H      -6.019270     -8.195298      5.852509
  H      -5.291893     -6.863940      6.475513
  N      -6.353582     -3.861315     -0.044331
  N      -7.037139     -3.043017     -0.329367
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.425170767257
  N      -3.125805     -3.897962      1.492189
  C      -2.861570     -4.828911      0.394691
  C      -2.513023     -6.161314      0.998902
  N      -3.543442     -6.495891      2.007329
  C      -4.790733     -6.944331      1.349888
  C      -5.899636     -6.857522      2.364076
  N      -5.790647     -5.552096      3.009600
  Mo     -4.015275     -4.574933      3.274958
  N      -2.686523     -5.679337      4.401899
  C      -2.057138     -6.887919      3.872934
  C      -3.050260     -7.531065      2.943955
  H      -1.818461     -7.586451      4.689739
  H      -1.104438     -6.659892      3.361682
  H      -3.897126     -7.883447      3.548053
  H      -2.620141     -8.375695      2.379505
  H      -6.874465     -6.961542      1.862877
  H      -5.822503     -7.668079      3.110709
  H      -5.004459     -6.264293      0.517041
  H      -4.663111     -7.965003      0.951819
  H      -2.019966     -4.471677     -0.218676
  H      -3.733482     -4.915283     -0.278246
  H      -1.544203     -6.082390      1.505924
  H      -2.451014     -6.962580      0.243359
  C      -3.023342     -2.564553      1.150586
  C      -3.227632     -2.161202     -0.196164
  C      -3.192445     -0.833803     -0.580178
  C      -2.924610      0.138135      0.388137
  F      -2.934955      1.443369      0.018157
  C      -2.668876     -0.190757      1.697899
  C      -2.688459     -1.541276      2.107307
  C      -2.337404     -1.924775      3.451550
  O      -2.748478     -3.044242      3.944714
  C      -1.453387     -1.155398      4.317862
  F      -1.397596     -1.718983      5.563795
  S      -0.504619      0.148441      4.020112
  C      -6.963900     -5.106444      3.624378
  C      -7.855627     -6.048010      4.180820
  C      -9.008660     -5.663370      4.852643
  C      -9.282670     -4.303703      4.964189
  F     -10.386822     -3.912121      5.647268
  C      -8.462793     -3.341871      4.407675
  C      -7.298732     -3.718009      3.714682
  C      -6.447133     -2.716464      3.080869
  O      -5.216919     -2.992171      2.786380
  C      -6.900812     -1.408360      2.658622
  F      -5.841953     -0.621554      2.285645
  S      -8.417065     -0.812098      2.441782
  C      -2.154333     -5.236930      5.604500
  C      -0.803237     -5.522550      5.923467
  C      -0.211081     -5.070319      7.090656
  C      -0.982484     -4.325598      7.983933
  F      -0.398262     -3.850082      9.111842
  C      -2.310353     -4.049308      7.746559
  C      -2.928408     -4.506642      6.565247
  C      -4.328755     -4.249082      6.317415
  O      -4.790193     -4.212529      5.099997
  C      -5.316679     -4.078745      7.357010
  F      -6.508335     -3.642475      6.841968
  S      -5.252634     -4.439690      8.961477
  H      -3.487530     -2.906291     -0.944723
  H      -3.402051     -0.536827     -1.608081
  H      -2.466723      0.595871      2.419791
  H      -7.612640     -7.106795      4.122531
  H      -9.677094     -6.397347      5.302827
  H      -8.720565     -2.291714      4.516166
  H      -0.186885     -6.064806      5.209473
  H       0.840879     -5.261171      7.303240
  H      -2.873872     -3.461346      8.466429
  N      -5.134065     -7.722607      5.851249
  H      -4.407306     -8.297318      6.284597
  H      -5.993615     -8.274817      5.892667
  H      -5.271183     -6.917353      6.466980
  N      -6.395228     -3.863196     -0.092624
  N      -7.075138     -3.036912     -0.358523
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.425900909585
  N      -3.116527     -3.894065      1.491061
  C      -2.878488     -4.826714      0.388273
  C      -2.529649     -6.162380      0.984073
  N      -3.549270     -6.494146      2.003877
  C      -4.801462     -6.948910      1.361829
  C      -5.899361     -6.856262      2.387562
  N      -5.787492     -5.543972      3.017899
  Mo     -4.010353     -4.560893      3.269648
  N      -2.687988     -5.667216      4.394364
  C      -2.051127     -6.870947      3.861940
  C      -3.044612     -7.523644      2.941070
  H      -1.798092     -7.566375      4.676924
  H      -1.105195     -6.631759      3.343125
  H      -3.885663     -7.881060      3.550353
  H      -2.612498     -8.367436      2.376806
  H      -6.879309     -6.969014      1.898391
  H      -5.811308     -7.661002      3.139528
  H      -5.024549     -6.276553      0.524991
  H      -4.676859     -7.972338      0.969651
  H      -2.044132     -4.475863     -0.238611
  H      -3.762745     -4.904037     -0.269222
  H      -1.553602     -6.091250      1.478491
  H      -2.481809     -6.961974      0.225843
  C      -3.009224     -2.560794      1.147028
  C      -3.212765     -2.157609     -0.199812
  C      -3.166954     -0.830902     -0.585732
  C      -2.888949      0.139996      0.380473
  F      -2.885801      1.444503      0.007917
  C      -2.637938     -0.188750      1.691225
  C      -2.671734     -1.538073      2.103357
  C      -2.340496     -1.917911      3.453301
  O      -2.769339     -3.033839      3.943807
  C      -1.469917     -1.150322      4.331488
  F      -1.446623     -1.700949      5.584484
  S      -0.517058      0.153788      4.045706
  C      -6.959392     -5.094893      3.634040
  C      -7.843846     -6.032651      4.208155
  C      -8.998000     -5.644345      4.875998
  C      -9.280403     -4.284865      4.965449
  F     -10.386865     -3.888736      5.642064
  C      -8.465945     -3.326748      4.394251
  C      -7.300011     -3.706892      3.707288
  C      -6.447546     -2.709789      3.066786
  O      -5.216732     -2.990684      2.779693
  C      -6.896678     -1.403501      2.636285
  F      -5.835285     -0.617472      2.268883
  S      -8.411525     -0.804492      2.418696
  C      -2.157945     -5.228483      5.600822
  C      -0.805102     -5.504633      5.917828
  C      -0.218529     -5.056453      7.089898
  C      -0.997767     -4.327162      7.988617
  F      -0.419745     -3.857075      9.121991
  C      -2.328122     -4.060524      7.751753
  C      -2.938711     -4.512083      6.564870
  C      -4.340708     -4.259770      6.315030
  O      -4.794875     -4.199913      5.095839
  C      -5.331494     -4.116907      7.354446
  F      -6.523123     -3.669883      6.848842
  S      -5.265519     -4.514395      8.950666
  H      -3.478496     -2.900538     -0.948287
  H      -3.374387     -0.533691     -1.614000
  H      -2.429697      0.597002      2.412506
  H      -7.594313     -7.090872      4.167531
  H      -9.661001     -6.374897      5.339565
  H      -8.729499     -2.276420      4.487067
  H      -0.182677     -6.035789      5.200661
  H       0.834725     -5.239881      7.302608
  H      -2.898481     -3.483593      8.475374
  N      -5.106269     -7.795317      5.866742
  H      -4.373026     -8.348760      6.316166
  H      -5.962042     -8.351176      5.929949
  H      -5.247032     -6.969623      6.453948
  N      -6.433923     -3.876254     -0.135366
  N      -7.111209     -3.042575     -0.384755
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.426393876003
  N      -3.107787     -3.888847      1.492650
  C      -2.895825     -4.821947      0.384230
  C      -2.546460     -6.161756      0.969489
  N      -3.554379     -6.492650      2.000311
  C      -4.811927     -6.954070      1.374700
  C      -5.898871     -6.854537      2.411652
  N      -5.784992     -5.534444      3.025491
  Mo     -4.006066     -4.546803      3.266598
  N      -2.690231     -5.654299      4.386656
  C      -2.045684     -6.853728      3.851814
  C      -3.037420     -7.516642      2.937158
  H      -1.780520     -7.544860      4.666384
  H      -1.106088     -6.603696      3.326546
  H      -3.872206     -7.882203      3.550067
  H      -2.599850     -8.357028      2.371966
  H      -6.884106     -6.975582      1.935569
  H      -5.798704     -7.651884      3.170199
  H      -5.044781     -6.291112      0.532833
  H      -4.689955     -7.981319      0.991473
  H      -2.069656     -4.476044     -0.256073
  H      -3.792545     -4.891031     -0.256911
  H      -1.562959     -6.100872      1.450571
  H      -2.514379     -6.957375      0.206233
  C      -2.995600     -2.555413      1.146906
  C      -3.201166     -2.152656     -0.199496
  C      -3.146694     -0.826735     -0.587838
  C      -2.858846      0.143194      0.375888
  F      -2.845532      1.447074      0.001315
  C      -2.610132     -0.185136      1.687310
  C      -2.654317     -1.533265      2.102484
  C      -2.344779     -1.909097      3.459105
  O      -2.793932     -3.021106      3.944832
  C      -1.488265     -1.147303      4.352674
  F      -1.476980     -1.709668      5.600806
  S      -0.497526      0.131328      4.077405
  C      -6.955663     -5.082888      3.643550
  C      -7.831773     -6.017169      4.235155
  C      -8.986362     -5.626342      4.900997
  C      -9.276824     -4.267560      4.971071
  F     -10.384297     -3.867927      5.644034
  C      -8.468787     -3.312674      4.385263
  C      -7.302109     -3.695399      3.701165
  C      -6.448946     -2.702037      3.054691
  O      -5.218305     -2.988863      2.773602
  C      -6.891143     -1.396667      2.615102
  F      -5.826223     -0.625886      2.226788
  S      -8.402629     -0.799601      2.372593
  C      -2.162854     -5.218972      5.597522
  C      -0.807371     -5.482902      5.910225
  C      -0.224775     -5.038757      7.086397
  C      -1.011679     -4.326796      7.991563
  F      -0.439233     -3.861577      9.129883
  C      -2.345005     -4.071402      7.756829
  C      -2.950431     -4.517587      6.565597
  C      -4.354104     -4.267416      6.313864
  O      -4.800392     -4.184552      5.093028
  C      -5.348945     -4.145401      7.350252
  F      -6.542659     -3.702028      6.846124
  S      -5.291469     -4.584249      8.936638
  H      -3.473809     -2.893247     -0.947658
  H      -3.354292     -0.529923     -1.616173
  H      -2.396797      0.599995      2.407685
  H      -7.576898     -7.074726      4.210676
  H      -9.643029     -6.354321      5.377413
  H      -8.737579     -2.262615      4.464962
  H      -0.179093     -6.001049      5.188592
  H       0.830414     -5.213042      7.297109
  H      -2.921644     -3.506576      8.484991
  N      -5.079865     -7.862531      5.875433
  H      -4.341561     -8.394404      6.342282
  H      -5.931874     -8.421489      5.959937
  H      -5.226135     -7.018738      6.435113
  N      -6.465701     -3.896693     -0.173488
  N      -7.141077     -3.057885     -0.410799
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.426789605122
  N      -3.100181     -3.885554      1.492557
  C      -2.914991     -4.818471      0.378626
  C      -2.563976     -6.162355      0.953004
  N      -3.558749     -6.493644      1.995592
  C      -4.822022     -6.962306      1.387635
  C      -5.897745     -6.856430      2.435798
  N      -5.784118     -5.527471      3.031348
  Mo     -4.001763     -4.535787      3.263561
  N      -2.690608     -5.644304      4.377596
  C      -2.038335     -6.839207      3.840168
  C      -3.028103     -7.512260      2.930920
  H      -1.762300     -7.525948      4.654648
  H      -1.105046     -6.578836      3.308751
  H      -3.855764     -7.887422      3.547643
  H      -2.583725     -8.347633      2.363592
  H      -6.888200     -6.986723      1.973612
  H      -5.783524     -7.644648      3.202145
  H      -5.065961     -6.308803      0.541317
  H      -4.701653     -7.993512      1.014419
  H      -2.098610     -4.476485     -0.276029
  H      -3.824605     -4.881232     -0.244741
  H      -1.572970     -6.111503      1.419746
  H      -2.548270     -6.953085      0.184049
  C      -2.981400     -2.552078      1.145922
  C      -3.190842     -2.148768     -0.199454
  C      -3.123763     -0.823945     -0.590567
  C      -2.819114      0.143717      0.369803
  F      -2.790023      1.446758     -0.006911
  C      -2.571141     -0.185279      1.681323
  C      -2.631702     -1.531763      2.099954
  C      -2.344469     -1.903495      3.462524
  O      -2.816833     -3.009199      3.944687
  C      -1.502508     -1.145347      4.370177
  F      -1.548232     -1.679801      5.629908
  S      -0.508640      0.135528      4.114154
  C      -6.953044     -5.073460      3.651577
  C      -7.820682     -6.003152      4.261726
  C      -8.975896     -5.608926      4.925013
  C      -9.274865     -4.251113      4.973654
  F     -10.384051     -3.847470      5.641594
  C      -8.472984     -3.300451      4.372617
  C      -7.304677     -3.686587      3.693142
  C      -6.451454     -2.697635      3.040588
  O      -5.221414     -2.989187      2.764067
  C      -6.889039     -1.392655      2.594133
  F      -5.820818     -0.619329      2.220832
  S      -8.398233     -0.786677      2.362256
  C      -2.166673     -5.211961      5.592982
  C      -0.808093     -5.461641      5.900824
  C      -0.229408     -5.022549      7.081395
  C      -1.024835     -4.331026      7.994204
  F      -0.458729     -3.872082      9.138401
  C      -2.361263     -4.088193      7.761835
  C      -2.961713     -4.527263      6.565656
  C      -4.366853     -4.277678      6.312118
  O      -4.806031     -4.171025      5.090580
  C      -5.365212     -4.172111      7.345512
  F      -6.553712     -3.707297      6.847780
  S      -5.310896     -4.626620      8.928393
  H      -3.474685     -2.886115     -0.946579
  H      -3.332758     -0.526999     -1.618571
  H      -2.346408      0.598174      2.400106
  H      -7.561007     -7.059893      4.253875
  H      -9.626341     -6.333733      5.414599
  H      -8.747301     -2.250653      4.437218
  H      -0.173988     -5.964838      5.173673
  H       0.828004     -5.186281      7.289322
  H      -2.944689     -3.538173      8.495859
  N      -5.055552     -7.926203      5.878851
  H      -4.313636     -8.436243      6.364129
  H      -5.903932     -8.487542      5.983431
  H      -5.208526     -7.066413      6.412114
  N      -6.492988     -3.923670     -0.209005
  N      -7.165810     -3.081445     -0.438373
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.427048531657
  N      -3.098688     -3.879284      1.492818
  C      -2.939325     -4.811489      0.373926
  C      -2.583587     -6.158388      0.938182
  N      -3.563670     -6.491972      1.993250
  C      -4.832123     -6.970149      1.403938
  C      -5.896293     -6.859826      2.463521
  N      -5.786394     -5.521123      3.039018
  Mo     -4.000500     -4.524367      3.263384
  N      -2.689301     -5.632086      4.370021
  C      -2.027667     -6.820590      3.828567
  C      -3.015928     -7.504638      2.925317
  H      -1.739622     -7.503244      4.642191
  H      -1.101570     -6.549099      3.290255
  H      -3.834603     -7.890972      3.547210
  H      -2.564064     -8.333463      2.354345
  H      -6.891504     -7.001901      2.015532
  H      -5.765988     -7.637156      3.238586
  H      -5.089057     -6.325541      0.554453
  H      -4.711296     -8.004765      1.040324
  H      -2.134600     -4.471724     -0.295893
  H      -3.861802     -4.871120     -0.230634
  H      -1.585418     -6.114218      1.390285
  H      -2.582455     -6.944473      0.164207
  C      -2.972086     -2.545889      1.146183
  C      -3.187036     -2.140428     -0.197614
  C      -3.101233     -0.817380     -0.591840
  C      -2.770575      0.146074      0.363978
  F      -2.717672      1.447629     -0.015426
  C      -2.521762     -0.185035      1.674795
  C      -2.607254     -1.528957      2.097523
  C      -2.341386     -1.896973      3.464585
  O      -2.838544     -2.993618      3.945518
  C      -1.510530     -1.141617      4.382961
  F      -1.588178     -1.663808      5.646256
  S      -0.493077      0.122078      4.133969
  C      -6.953725     -5.065340      3.660952
  C      -7.813260     -5.990555      4.288334
  C      -8.970065     -5.593437      4.947767
  C      -9.278354     -4.237187      4.974799
  F     -10.390393     -3.830414      5.636222
  C      -8.482603     -3.290641      4.359212
  C      -7.311772     -3.679657      3.685642
  C      -6.459533     -2.695039      3.026570
  O      -5.230429     -2.988729      2.752689
  C      -6.895892     -1.391678      2.571439
  F      -5.826941     -0.622728      2.192500
  S      -8.404205     -0.788411      2.331180
  C      -2.169299     -5.201688      5.589396
  C      -0.807520     -5.436047      5.892486
  C      -0.233267     -5.004220      7.078364
  C      -1.038080     -4.336917      8.000436
  F      -0.479332     -3.887426      9.152119
  C      -2.377574     -4.107601      7.770387
  C      -2.972249     -4.536207      6.567760
  C      -4.378714     -4.288199      6.313272
  O      -4.813141     -4.158736      5.092262
  C      -5.379029     -4.200661      7.345474
  F      -6.569456     -3.736133      6.851524
  S      -5.327626     -4.683022      8.920681
  H      -3.487597     -2.873339     -0.942480
  H      -3.312609     -0.519287     -1.619010
  H      -2.277407      0.595229      2.390996
  H      -7.548225     -7.046065      4.296132
  H      -9.614577     -6.315165      5.449575
  H      -8.763288     -2.241532      4.408064
  H      -0.167885     -5.922810      5.158893
  H       0.826337     -5.156883      7.283435
  H      -2.968565     -3.576069      8.512138
  N      -5.032918     -7.980682      5.880163
  H      -4.288487     -8.468095      6.384544
  H      -5.877150     -8.544995      6.001725
  H      -5.195417     -7.107812      6.389264
  N      -6.520738     -3.952736     -0.235507
  N      -7.184307     -3.102977     -0.464085
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.427331047703
  N      -3.099482     -3.871684      1.494931
  C      -2.966951     -4.802159      0.371041
  C      -2.604072     -6.151739      0.924569
  N      -3.567895     -6.489870      1.992642
  C      -4.840920     -6.980130      1.423276
  C      -5.893135     -6.866029      2.494488
  N      -5.791114     -5.516124      3.046220
  Mo     -4.000941     -4.514816      3.266236
  N      -2.686143     -5.620174      4.363811
  C      -2.012949     -6.799772      3.816572
  C      -2.999434     -7.495898      2.919474
  H      -1.711490     -7.478577      4.628434
  H      -1.095258     -6.515731      3.270573
  H      -3.807171     -7.895986      3.547045
  H      -2.538548     -8.315864      2.343055
  H      -6.892465     -7.023543      2.061217
  H      -5.744336     -7.629126      3.280418
  H      -5.112482     -6.344717      0.571287
  H      -4.717763     -8.017963      1.069822
  H      -2.176133     -4.463152     -0.315167
  H      -3.902935     -4.860777     -0.212645
  H      -1.598865     -6.111878      1.361568
  H      -2.616363     -6.932789      0.145510
  C      -2.964056     -2.538586      1.149474
  C      -3.189736     -2.129626     -0.191615
  C      -3.085331     -0.808928     -0.589057
  C      -2.725156      0.149268      0.361411
  F      -2.649974      1.449121     -0.020373
  C      -2.471578     -0.184556      1.670493
  C      -2.579406     -1.525981      2.097476
  C      -2.332922     -1.891748      3.468098
  O      -2.858625     -2.975596      3.948737
  C      -1.503869     -1.146705      4.396739
  F      -1.616783     -1.657642      5.661687
  S      -0.443258      0.082052      4.155000
  C      -6.957658     -5.058396      3.667286
  C      -7.811038     -5.978584      4.309578
  C      -8.969596     -5.578073      4.964487
  C      -9.285221     -4.223445      4.972468
  F     -10.399625     -3.813293      5.627912
  C      -8.494351     -3.281393      4.343720
  C      -7.322083     -3.673982      3.674431
  C      -6.470844     -2.694705      3.007375
  O      -5.243717     -2.988918      2.735293
  C      -6.906456     -1.393104      2.540046
  F      -5.835458     -0.626454      2.164399
  S      -8.412938     -0.794117      2.284310
  C      -2.170778     -5.190599      5.586935
  C      -0.805473     -5.407767      5.884736
  C      -0.234856     -4.982378      7.075005
  C      -1.048631     -4.339535      8.006183
  F      -0.496712     -3.898015      9.164334
  C      -2.391292     -4.125086      7.779057
  C      -2.981576     -4.545140      6.571340
  C      -4.389643     -4.300598      6.316976
  O      -4.821206     -4.149046      5.097679
  C      -5.392092     -4.234308      7.348371
  F      -6.580504     -3.755219      6.862728
  S      -5.340863     -4.735336      8.918133
  H      -3.512101     -2.857525     -0.932273
  H      -3.303722     -0.509076     -1.614228
  H      -2.206557      0.592138      2.383259
  H      -7.541553     -7.032855      4.331582
  H      -9.609196     -6.296446      5.477255
  H      -8.780038     -2.233083      4.378526
  H      -0.161208     -5.877404      5.143926
  H       0.827220     -5.122323      7.276144
  H      -2.988948     -3.611981      8.528523
  N      -5.016565     -8.029524      5.873194
  H      -4.272028     -8.493758      6.399264
  H      -5.857203     -8.596366      6.008958
  H      -5.191534     -7.145831      6.359918
  N      -6.542632     -3.988157     -0.255409
  N      -7.203865     -3.136301     -0.484867
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.427576049436
  N      -3.104238     -3.862840      1.498504
  C      -2.997538     -4.791269      0.370446
  C      -2.625444     -6.142577      0.913968
  N      -3.572679     -6.486588      1.994702
  C      -4.849002     -6.990339      1.444691
  C      -5.889356     -6.873955      2.527328
  N      -5.799154     -5.512869      3.053784
  Mo     -4.004104     -4.507980      3.272553
  N      -2.681492     -5.608694      4.359909
  C      -1.996244     -6.777654      3.805035
  C      -2.981536     -7.485773      2.914621
  H      -1.680023     -7.453447      4.613699
  H      -1.087937     -6.480814      3.250465
  H      -3.777304     -7.900730      3.547850
  H      -2.511848     -8.295781      2.331362
  H      -6.891596     -7.050641      2.108209
  H      -5.720337     -7.620540      3.325005
  H      -5.135356     -6.363145      0.591379
  H      -4.722117     -8.030579      1.099991
  H      -2.221511     -4.452065     -0.332005
  H      -3.946299     -4.850695     -0.192354
  H      -1.613871     -6.103392      1.336525
  H      -2.648509     -6.919482      0.130988
  C      -2.958688     -2.530734      1.154645
  C      -3.195861     -2.116386     -0.183236
  C      -3.067823     -0.799011     -0.583894
  C      -2.671494      0.151689      0.360269
  F      -2.567763      1.448775     -0.024790
  C      -2.412676     -0.186095      1.666995
  C      -2.549269     -1.523993      2.098563
  C      -2.319227     -1.888368      3.471022
  O      -2.875188     -2.955045      3.954507
  C      -1.483350     -1.154770      4.404812
  F      -1.640199     -1.637206      5.675699
  S      -0.389245      0.043223      4.163770
  C      -6.964923     -5.053511      3.673039
  C      -7.814830     -5.968389      4.327405
  C      -8.973355     -5.563361      4.980090
  C      -9.292661     -4.209747      4.974613
  F     -10.407230     -3.795580      5.627301
  C      -8.505413     -3.272541      4.334017
  C      -7.334166     -3.670130      3.665722
  C      -6.486243     -2.697517      2.986244
  O      -5.262625     -2.989522      2.711928
  C      -6.926016     -1.397955      2.506672
  F      -5.855659     -0.632420      2.130290
  S      -8.432435     -0.811572      2.231106
  C      -2.170502     -5.178703      5.585878
  C      -0.801941     -5.380354      5.878727
  C      -0.233329     -4.959420      7.071569
  C      -1.053842     -4.336672      8.010359
  F      -0.506649     -3.899923      9.172595
  C      -2.399274     -4.135847      7.786697
  C      -2.987530     -4.550602      6.576109
  C      -4.397260     -4.310778      6.323317
  O      -4.829109     -4.141426      5.106725
  C      -5.402112     -4.268104      7.353995
  F      -6.599771     -3.816470      6.863748
  S      -5.360638     -4.818591      8.907359
  H      -3.544836     -2.838029     -0.918028
  H      -3.294091     -0.495962     -1.606401
  H      -2.121887      0.585380      2.375623
  H      -7.542906     -7.021809      4.359817
  H      -9.609476     -6.278112      5.502197
  H      -8.793813     -2.224660      4.357817
  H      -0.155004     -5.835248      5.130966
  H       0.831076     -5.087345      7.268195
  H      -3.001096     -3.637178      8.542611
  N      -5.011447     -8.063443      5.857546
  H      -4.269520     -8.507953      6.404567
  H      -5.850045     -8.631154      6.004569
  H      -5.198242     -7.171986      6.326733
  N      -6.554668     -4.027564     -0.265753
  N      -7.218336     -3.179441     -0.501975
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.427770392879
  N      -3.109989     -3.854185      1.502985
  C      -3.025295     -4.780127      0.371144
  C      -2.644280     -6.132513      0.905424
  N      -3.577354     -6.482377      1.996475
  C      -4.854587     -6.998934      1.461533
  C      -5.884458     -6.882898      2.554400
  N      -5.806933     -5.513448      3.059791
  Mo     -4.009610     -4.503937      3.278264
  N      -2.678296     -5.598067      4.356539
  C      -1.981687     -6.756057      3.793237
  C      -2.965522     -7.475340      2.909516
  H      -1.649396     -7.429786      4.597078
  H      -1.082910     -6.445911      3.230636
  H      -3.750623     -7.904198      3.546778
  H      -2.488845     -8.276745      2.320043
  H      -6.888020     -7.079894      2.147176
  H      -5.696183     -7.615078      3.361062
  H      -5.153253     -6.377997      0.607820
  H      -4.723625     -8.040150      1.121551
  H      -2.261611     -4.440556     -0.344432
  H      -3.984048     -4.838478     -0.174563
  H      -1.627679     -6.091491      1.315842
  H      -2.674507     -6.906959      0.120363
  C      -2.956246     -2.523492      1.160600
  C      -3.200097     -2.103430     -0.174881
  C      -3.049660     -0.789301     -0.577089
  C      -2.623209      0.153530      0.362594
  F      -2.492960      1.447555     -0.025349
  C      -2.362702     -0.188378      1.667568
  C      -2.526240     -1.522746      2.102033
  C      -2.310296     -1.886821      3.475573
  O      -2.892686     -2.937000      3.962048
  C      -1.464774     -1.164178      4.411456
  F      -1.631700     -1.642743      5.681912
  S      -0.326976     -0.010630      4.162806
  C      -6.972802     -5.054208      3.676469
  C      -7.822091     -5.965719      4.337158
  C      -8.980447     -5.557381      4.988034
  C      -9.301737     -4.204320      4.975146
  F     -10.416092     -3.787521      5.626437
  C      -8.516568     -3.270331      4.327060
  C      -7.346260     -3.671837      3.659886
  C      -6.503939     -2.704490      2.966645
  O      -5.283508     -2.991729      2.688121
  C      -6.954257     -1.408154      2.477983
  F      -5.888951     -0.634394      2.107523
  S      -8.464387     -0.840457      2.192403
  C      -2.170367     -5.167858      5.584551
  C      -0.799941     -5.359090      5.875821
  C      -0.234336     -4.941252      7.071175
  C      -1.060395     -4.333071      8.014765
  F      -0.517660     -3.900715      9.180634
  C      -2.407438     -4.141671      7.792019
  C      -2.991804     -4.551328      6.578042
  C      -4.402900     -4.318809      6.327504
  O      -4.836987     -4.137088      5.113640
  C      -5.405675     -4.296107      7.360914
  F      -6.601405     -3.821045      6.887216
  S      -5.349933     -4.845600      8.914038
  H      -3.571350     -2.818896     -0.904886
  H      -3.280527     -0.482037     -1.597309
  H      -2.051325      0.577690      2.373607
  H      -7.548381     -7.018464      4.375992
  H      -9.615016     -6.269571      5.515580
  H      -8.806997     -2.222766      4.343244
  H      -0.150442     -5.803638      5.124054
  H       0.831295     -5.060967      7.266217
  H      -3.013094     -3.653335      8.551876
  N      -5.012439     -8.087681      5.837289
  H      -4.274275     -8.516888      6.401838
  H      -5.849336     -8.656379      5.992498
  H      -5.208592     -7.190288      6.292267
  N      -6.561007     -4.064506     -0.272457
  N      -7.222454     -3.218746     -0.521920
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.427885482929
  N      -3.108029     -3.851765      1.505340
  C      -3.034817     -4.776517      0.371350
  C      -2.653409     -6.130218      0.900813
  N      -3.581188     -6.480381      1.996346
  C      -4.858772     -7.000990      1.466981
  C      -5.883987     -6.884774      2.564388
  N      -5.809072     -5.513419      3.063072
  Mo     -4.011649     -4.501997      3.278277
  N      -2.679023     -5.592735      4.354198
  C      -1.978140     -6.746205      3.787053
  C      -2.961546     -7.470670      2.907353
  H      -1.636763     -7.418938      4.587843
  H      -1.084109     -6.429028      3.220748
  H      -3.742783     -7.904694      3.545916
  H      -2.483453     -8.270147      2.316319
  H      -6.888028     -7.089854      2.162124
  H      -5.688112     -7.613004      3.372788
  H      -5.161029     -6.382321      0.612854
  H      -4.727762     -8.042305      1.127254
  H      -2.274336     -4.439040     -0.348785
  H      -3.997082     -4.828959     -0.168413
  H      -1.634503     -6.090370      1.305545
  H      -2.688052     -6.904408      0.115819
  C      -2.950722     -2.522063      1.162837
  C      -3.194357     -2.100146     -0.172396
  C      -3.037306     -0.786876     -0.573938
  C      -2.606008      0.153682      0.365886
  F      -2.470288      1.447170     -0.022292
  C      -2.347693     -0.189335      1.670927
  C      -2.516294     -1.523468      2.104935
  C      -2.308529     -1.888206      3.479871
  O      -2.903942     -2.931197      3.966102
  C      -1.458142     -1.174362      4.418505
  F      -1.643686     -1.641880      5.690228
  S      -0.303594     -0.036990      4.172811
  C      -6.973352     -5.053846      3.680953
  C      -7.821441     -5.963561      4.346419
  C      -8.976272     -5.552662      5.001306
  C      -9.296028     -4.199136      4.988548
  F     -10.406033     -3.780022      5.645616
  C      -8.513424     -3.267084      4.334395
  C      -7.347447     -3.671444      3.661781
  C      -6.509708     -2.707006      2.957155
  O      -5.290438     -2.992363      2.675322
  C      -6.967753     -1.415273      2.460196
  F      -5.906481     -0.635147      2.093005
  S      -8.481012     -0.861958      2.165855
  C      -2.171629     -5.163293      5.582868
  C      -0.801121     -5.352354      5.875121
  C      -0.237488     -4.932599      7.070736
  C      -1.064928     -4.324645      8.013204
  F      -0.523208     -3.889842      9.178553
  C      -2.412373     -4.135944      7.789721
  C      -2.994607     -4.548208      6.575818
  C      -4.406831     -4.320571      6.325193
  O      -4.840493     -4.133620      5.111866
  C      -5.409800     -4.309699      7.358140
  F      -6.607605     -3.836402      6.887777
  S      -5.350468     -4.871600      8.906659
  H      -3.571195     -2.813484     -0.901610
  H      -3.268094     -0.477491     -1.593553
  H      -2.035807      0.575672      2.377575
  H      -7.547627     -7.016242      4.386908
  H      -9.609374     -6.262962      5.533208
  H      -8.802841     -2.219342      4.350451
  H      -0.149916     -5.795522      5.124033
  H       0.828194     -5.050127      7.266842
  H      -3.018983     -3.646600      8.548081
  N      -5.014629     -8.102398      5.829190
  H      -4.278455     -8.525083      6.401403
  H      -5.850802     -8.670691      5.990378
  H      -5.211464     -7.199736      6.273415
  N      -6.566208     -4.080569     -0.281681
  N      -7.206731     -3.224141     -0.550499
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.428043818205
  N      -3.104195     -3.847370      1.511231
  C      -3.048711     -4.769513      0.372979
  C      -2.669580     -6.125775      0.893905
  N      -3.589903     -6.474934      1.996644
  C      -4.867862     -7.000154      1.473634
  C      -5.885707     -6.887935      2.578247
  N      -5.812977     -5.516734      3.072691
  Mo     -4.016394     -4.500838      3.278274
  N      -2.680632     -5.583724      4.351129
  C      -1.975099     -6.730424      3.776175
  C      -2.959537     -7.462011      2.904911
  H      -1.616967     -7.402121      4.570405
  H      -1.089595     -6.401542      3.202917
  H      -3.735446     -7.902123      3.545966
  H      -2.482750     -8.261037      2.312051
  H      -6.890223     -7.104491      2.182800
  H      -5.678056     -7.614784      3.385077
  H      -5.174641     -6.381649      0.620840
  H      -4.737352     -8.040004      1.129004
  H      -2.290495     -4.436445     -0.352038
  H      -4.014900     -4.807470     -0.160275
  H      -1.646919     -6.088615      1.289209
  H      -2.711799     -6.900613      0.110229
  C      -2.940423     -2.519132      1.168889
  C      -3.176846     -2.091881     -0.166646
  C      -3.005016     -0.779460     -0.563740
  C      -2.567070      0.155072      0.379114
  F      -2.417915      1.447772     -0.007596
  C      -2.317629     -0.192235      1.684584
  C      -2.500652     -1.525956      2.114462
  C      -2.308002     -1.893598      3.490740
  O      -2.927018     -2.923279      3.976992
  C      -1.449123     -1.192913      4.431274
  F      -1.657527     -1.642632      5.705453
  S      -0.270149     -0.081001      4.184538
  C      -6.974709     -5.056842      3.692031
  C      -7.824002     -5.963523      4.361848
  C      -8.973622     -5.547262      5.021116
  C      -9.289091     -4.192331      5.009690
  F     -10.392302     -3.768861      5.675026
  C      -8.508837     -3.264154      4.347164
  C      -7.349443     -3.674712      3.668047
  C      -6.521744     -2.716048      2.941102
  O      -5.303667     -2.994308      2.652413
  C      -7.000814     -1.437212      2.426819
  F      -5.952213     -0.640764      2.060848
  S      -8.523383     -0.924374      2.112600
  C      -2.171385     -5.156212      5.579112
  C      -0.801179     -5.344992      5.873453
  C      -0.239979     -4.917932      7.067566
  C      -1.067087     -4.302557      8.005370
  F      -0.524303     -3.858967      9.166783
  C      -2.414964     -4.115956      7.780789
  C      -2.994693     -4.537973      6.569481
  C      -4.409501     -4.320489      6.319739
  O      -4.844485     -4.127993      5.106802
  C      -5.409953     -4.327600      7.353964
  F      -6.613177     -3.861052      6.891183
  S      -5.339698     -4.911302      8.893982
  H      -3.560044     -2.799854     -0.897577
  H      -3.229826     -0.463885     -1.582852
  H      -2.005057      0.569083      2.394755
  H      -7.551860     -7.016641      4.403133
  H      -9.607422     -6.253754      5.557378
  H      -8.795743     -2.215778      4.362800
  H      -0.147639     -5.790679      5.125936
  H       0.825359     -5.034298      7.266502
  H      -3.021421     -3.618810      8.533962
  N      -5.021889     -8.123388      5.815803
  H      -4.288132     -8.538910      6.396661
  H      -5.858112     -8.687559      5.990689
  H      -5.213131     -7.210228      6.239924
  N      -6.577211     -4.107254     -0.296106
  N      -7.206610     -3.248488     -0.582998
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.428095092077
  N      -3.103825     -3.845191      1.512405
  C      -3.054999     -4.766030      0.372351
  C      -2.677052     -6.123565      0.890104
  N      -3.593962     -6.471965      1.996459
  C      -4.872737     -6.999275      1.476334
  C      -5.888123     -6.890207      2.583541
  N      -5.815485     -5.519527      3.078814
  Mo     -4.018233     -4.500751      3.277532
  N      -2.679837     -5.579740      4.349642
  C      -1.973773     -6.724693      3.771447
  C      -2.959767     -7.458075      2.903809
  H      -1.610369     -7.395901      4.563700
  H      -1.091443     -6.392559      3.195128
  H      -3.733358     -7.898964      3.547168
  H      -2.484729     -8.257482      2.310092
  H      -6.893325     -7.108231      2.190738
  H      -5.676905     -7.618313      3.388519
  H      -5.182483     -6.380186      0.624980
  H      -4.741091     -8.038282      1.129507
  H      -2.297968     -4.433968     -0.354454
  H      -4.023036     -4.798947     -0.157798
  H      -1.652575     -6.088471      1.280952
  H      -2.723806     -6.898329      0.106697
  C      -2.938171     -2.517102      1.170679
  C      -3.172805     -2.087442     -0.164492
  C      -2.995773     -0.775101     -0.559564
  C      -2.554499      0.156732      0.384400
  F      -2.400323      1.449319     -0.001117
  C      -2.307185     -0.192879      1.689627
  C      -2.496024     -1.526500      2.117448
  C      -2.309223     -1.895289      3.493882
  O      -2.938325     -2.919452      3.980185
  C      -1.448312     -1.198735      4.435186
  F      -1.665307     -1.641114      5.710380
  S      -0.258038     -0.098742      4.188140
  C      -6.975926     -5.059306      3.699117
  C      -7.823917     -5.963839      4.373654
  C      -8.971023     -5.544553      5.035110
  C      -9.285156     -4.189084      5.022068
  F     -10.385314     -3.763303      5.690943
  C      -8.506918     -3.263441      4.353847
  C      -7.350901     -3.677523      3.671077
  C      -6.527964     -2.722182      2.934427
  O      -5.310207     -2.996203      2.642985
  C      -7.015283     -1.448942      2.412461
  F      -5.972011     -0.645942      2.046473
  S      -8.541245     -0.952690      2.089783
  C      -2.170522     -5.153408      5.577526
  C      -0.800616     -5.342115      5.873200
  C      -0.241476     -4.914951      7.068312
  C      -1.069601     -4.299783      8.005277
  F      -0.527833     -3.856411      9.167306
  C      -2.417408     -4.113566      7.779347
  C      -2.994973     -4.535676      6.567208
  C      -4.410487     -4.320059      6.316967
  O      -4.845891     -4.125028      5.103987
  C      -5.409926     -4.331140      7.351474
  F      -6.614411     -3.865522      6.891305
  S      -5.336395     -4.920088      8.889587
  H      -3.558023     -2.792982     -0.896712
  H      -3.218334     -0.456923     -1.578386
  H      -1.992588      0.566475      2.401042
  H      -7.552371     -7.017140      4.416346
  H      -9.604409     -6.248725      5.574954
  H      -8.792862     -2.214785      4.368228
  H      -0.145485     -5.787817      5.127060
  H       0.823474     -5.031575      7.269313
  H      -3.025055     -3.616789      8.531865
  N      -5.020291     -8.131075      5.813157
  H      -4.285381     -8.544207      6.394208
  H      -5.857558     -8.690376      5.998155
  H      -5.205256     -7.212423      6.227852
  N      -6.586428     -4.121014     -0.300943
  N      -7.161244     -3.244341     -0.642992
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.428154845559
  N      -3.100613     -3.840308      1.515217
  C      -3.060771     -4.757715      0.371408
  C      -2.686833     -6.118094      0.883676
  N      -3.599236     -6.464380      1.995353
  C      -4.879167     -6.994537      1.477801
  C      -5.891793     -6.893490      2.587971
  N      -5.816925     -5.525182      3.090382
  Mo     -4.019006     -4.501817      3.275822
  N      -2.675841     -5.573882      4.347610
  C      -1.970931     -6.717166      3.763626
  C      -2.961019     -7.450602      2.901053
  H      -1.602061     -7.388469      4.553273
  H      -1.092559     -6.381858      3.183053
  H      -3.731697     -7.890232      3.548882
  H      -2.490822     -8.251317      2.305441
  H      -6.898582     -7.107853      2.197637
  H      -5.678417     -7.627391      3.387355
  H      -5.193801     -6.372445      0.630415
  H      -4.743601     -8.031351      1.126008
  H      -2.304515     -4.426321     -0.356518
  H      -4.031194     -4.782330     -0.155004
  H      -1.659543     -6.088787      1.267692
  H      -2.742668     -6.891789      0.099943
  C      -2.930744     -2.511906      1.175867
  C      -3.161236     -2.077226     -0.158322
  C      -2.974172     -0.764841     -0.549078
  C      -2.526743      0.161289      0.397509
  F      -2.362837      1.453875      0.015395
  C      -2.283137     -0.193636      1.702009
  C      -2.483782     -1.527103      2.125165
  C      -2.308662     -1.898834      3.501578
  O      -2.957250     -2.912729      3.986795
  C      -1.444973     -1.210880      4.445248
  F      -1.679808     -1.639137      5.722099
  S      -0.232282     -0.134478      4.199916
  C      -6.976762     -5.064427      3.709967
  C      -7.823681     -5.965087      4.390400
  C      -8.970268     -5.540640      5.049503
  C      -9.284120     -4.184810      5.028788
  F     -10.382956     -3.755352      5.697443
  C      -8.507777     -3.264032      4.352164
  C      -7.353482     -3.684373      3.669856
  C      -6.537639     -2.735614      2.918189
  O      -5.319117     -2.999524      2.625652
  C      -7.040941     -1.476415      2.374964
  F      -6.008713     -0.659033      2.011268
  S      -8.572175     -1.018683      2.023716
  C      -2.166476     -5.150151      5.575119
  C      -0.797369     -5.340478      5.872697
  C      -0.240818     -4.914066      7.069437
  C      -1.069769     -4.298103      8.004905
  F      -0.529061     -3.855554      9.167935
  C      -2.417153     -4.110499      7.776712
  C      -2.992386     -4.532283      6.563493
  C      -4.408593     -4.316684      6.311718
  O      -4.844442     -4.119590      5.097827
  C      -5.407100     -4.327704      7.345908
  F      -6.610800     -3.857675      6.888802
  S      -5.333505     -4.921213      8.882979
  H      -3.549200     -2.777390     -0.894239
  H      -3.191693     -0.441546     -1.567404
  H      -1.963317      0.561207      2.415987
  H      -7.552891     -7.018533      4.437678
  H      -9.604594     -6.240466      5.593908
  H      -8.793651     -2.215270      4.360490
  H      -0.140170     -5.787194      5.128916
  H       0.823349     -5.032490      7.273749
  H      -3.026076     -3.614025      8.528414
  N      -5.016089     -8.136982      5.810396
  H      -4.276556     -8.549336      6.385802
  H      -5.857551     -8.681157      6.019064
  H      -5.182294     -7.207707      6.208461
  N      -6.602567     -4.140157     -0.305916
  N      -7.214452     -3.277450     -0.618024
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.428202953539
  N      -3.103208     -3.839135      1.514286
  C      -3.062443     -4.755840      0.370156
  C      -2.689459     -6.116708      0.882575
  N      -3.601915     -6.462357      1.994499
  C      -4.881923     -6.993629      1.476717
  C      -5.895045     -6.895415      2.586729
  N      -5.819483     -5.527897      3.093096
  Mo     -4.020483     -4.503030      3.274658
  N      -2.675323     -5.573896      4.346650
  C      -1.971595     -6.717536      3.761981
  C      -2.963730     -7.449276      2.899598
  H      -1.604713     -7.389320      4.552159
  H      -1.092896     -6.383791      3.181097
  H      -3.734089     -7.887222      3.548993
  H      -2.494837     -8.249922      2.302979
  H      -6.902539     -7.105248      2.195888
  H      -5.683519     -7.631734      3.384346
  H      -5.198175     -6.370676      0.630656
  H      -4.743263     -8.029917      1.124818
  H      -2.306168     -4.423458     -0.357123
  H      -4.032968     -4.782000     -0.156153
  H      -1.662091     -6.089439      1.266509
  H      -2.747375     -6.889468      0.098062
  C      -2.932066     -2.510359      1.176318
  C      -3.163272     -2.074854     -0.157247
  C      -2.973361     -0.762766     -0.548120
  C      -2.521895      0.161813      0.398094
  F      -2.354263      1.454058      0.016470
  C      -2.277638     -0.194258      1.702206
  C      -2.482554     -1.527100      2.125393
  C      -2.310639     -1.898925      3.501863
  O      -2.962779     -2.911363      3.985867
  C      -1.448844     -1.211950      4.447509
  F      -1.688383     -1.638343      5.724264
  S      -0.231186     -0.140473      4.204769
  C      -6.978433     -5.067991      3.714728
  C      -7.821571     -5.968141      4.399791
  C      -8.967367     -5.543314      5.060400
  C      -9.283279     -4.187907      5.036258
  F     -10.381700     -3.758529      5.705772
  C      -8.509792     -3.267721      4.355731
  C      -7.356024     -3.688442      3.672171
  C      -6.542353     -2.740363      2.918577
  O      -5.323786     -3.001572      2.624777
  C      -7.047095     -1.480142      2.377415
  F      -6.016310     -0.662008      2.012063
  S      -8.579189     -1.022786      2.029940
  C      -2.166964     -5.150150      5.574331
  C      -0.797755     -5.339826      5.871357
  C      -0.241015     -4.915132      7.068692
  C      -1.070611     -4.301577      8.005160
  F      -0.530628     -3.860867      9.169325
  C      -2.417944     -4.114009      7.777035
  C      -2.993680     -4.533606      6.563154
  C      -4.409439     -4.315571      6.311055
  O      -4.845517     -4.119343      5.097118
  C      -5.408787     -4.322040      7.344661
  F      -6.610488     -3.848203      6.886148
  S      -5.339849     -4.911848      8.883610
  H      -3.553170     -2.773495     -0.893649
  H      -3.190940     -0.438987     -1.566266
  H      -1.953510      0.559167      2.415840
  H      -7.549223     -7.021163      4.449096
  H      -9.599278     -6.242458      5.608467
  H      -8.797019     -2.219238      4.361981
  H      -0.140667     -5.785256      5.126658
  H       0.823284     -5.033087      7.272523
  H      -3.027203     -3.619892      8.530034
  N      -5.010525     -8.134312      5.813994
  H      -4.266738     -8.547979      6.382722
  H      -5.854020     -8.670993      6.033389
  H      -5.167146     -7.202048      6.209219
  N      -6.612107     -4.144757     -0.304239
  N      -7.148121     -3.266388     -0.700592
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.428243725193
  N      -3.104261     -3.836851      1.512555
  C      -3.062453     -4.752267      0.367878
  C      -2.690220     -6.113751      0.880451
  N      -3.603416     -6.458681      1.992016
  C      -4.882516     -6.992689      1.473216
  C      -5.896308     -6.897483      2.582858
  N      -5.820129     -5.530281      3.092959
  Mo     -4.020990     -4.504051      3.271459
  N      -2.674460     -5.573626      4.344342
  C      -1.971346     -6.717485      3.759752
  C      -2.965345     -7.446796      2.896133
  H      -1.608789     -7.390332      4.551034
  H      -1.091242     -6.386252      3.179773
  H      -3.735617     -7.883238      3.546679
  H      -2.496827     -8.246304      2.297846
  H      -6.904563     -7.101346      2.190858
  H      -5.687962     -7.635692      3.379313
  H      -5.200787     -6.369557      0.628200
  H      -4.738625     -8.028550      1.122665
  H      -2.306688     -4.418377     -0.358952
  H      -4.033241     -4.781899     -0.158012
  H      -1.663096     -6.089179      1.264999
  H      -2.750478     -6.884784      0.094407
  C      -2.929687     -2.507741      1.176676
  C      -3.162472     -2.071115     -0.155963
  C      -2.966075     -0.760174     -0.548032
  C      -2.506073      0.161647      0.396894
  F      -2.330037      1.452663      0.015085
  C      -2.261581     -0.195645      1.700683
  C      -2.475045     -1.526845      2.125171
  C      -2.310441     -1.898277      3.502373
  O      -2.969524     -2.907872      3.982991
  C      -1.452773     -1.213916      4.453197
  F      -1.703498     -1.636988      5.729155
  S      -0.226371     -0.151025      4.217241
  C      -6.978687     -5.071928      3.716905
  C      -7.815925     -5.971981      4.408112
  C      -8.962334     -5.547949      5.068845
  C      -9.283463     -4.193979      5.037685
  F     -10.382946     -3.765576      5.706258
  C      -8.514505     -3.273886      4.351858
  C      -7.359674     -3.693675      3.668816
  C      -6.547768     -2.745879      2.913928
  O      -5.328823     -3.004030      2.620792
  C      -7.053606     -1.485353      2.371522
  F      -6.023858     -0.665564      2.008573
  S      -8.585478     -1.029911      2.021151
  C      -2.168746     -5.149407      5.573024
  C      -0.799743     -5.338958      5.870311
  C      -0.243100     -4.918302      7.069242
  C      -1.074393     -4.309450      8.007300
  F      -0.536746     -3.873374      9.174375
  C      -2.421344     -4.121178      7.778280
  C      -2.997079     -4.535099      6.562231
  C      -4.411463     -4.313006      6.309037
  O      -4.846920     -4.118880      5.094845
  C      -5.412371     -4.311558      7.341611
  F      -6.611503     -3.834157      6.879574
  S      -5.350553     -4.893791      8.883830
  H      -3.557916     -2.767007     -0.892101
  H      -3.184641     -0.436046     -1.565821
  H      -1.930022      0.555598      2.413307
  H      -7.539428     -7.023710      4.462235
  H      -9.589918     -6.246681      5.622340
  H      -8.805355     -2.226384      4.353686
  H      -0.142930     -5.781947      5.123886
  H       0.821288     -5.035928      7.272565
  H      -3.031490     -3.631256      8.533374
  N      -5.001942     -8.126472      5.818511
  H      -4.251556     -8.542572      6.376410
  H      -5.848673     -8.650092      6.056004
  H      -5.141987     -7.189601      6.209562
  N      -6.623106     -4.147870     -0.303599
  N      -7.178436     -3.271810     -0.677361
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.428272227747
  N      -3.106446     -3.834980      1.514030
  C      -3.067699     -4.748936      0.368234
  C      -2.695195     -6.111008      0.879099
  N      -3.607489     -6.455859      1.991616
  C      -4.885945     -6.992175      1.473248
  C      -5.898403     -6.898609      2.584216
  N      -5.821619     -5.531709      3.095238
  Mo     -4.023222     -4.504450      3.271007
  N      -2.675645     -5.573159      4.342852
  C      -1.972574     -6.716297      3.757420
  C      -2.967661     -7.444851      2.894024
  H      -1.610234     -7.390210      4.547917
  H      -1.092585     -6.385151      3.177299
  H      -3.737058     -7.882050      3.545060
  H      -2.499321     -8.243118      2.293994
  H      -6.907115     -7.101173      2.192530
  H      -5.690213     -7.637494      3.379938
  H      -5.205841     -6.369320      0.628707
  H      -4.739709     -8.027680      1.122900
  H      -2.313397     -4.414777     -0.359934
  H      -4.039577     -4.778672     -0.155778
  H      -1.667670     -6.087573      1.262406
  H      -2.757451     -6.881139      0.092380
  C      -2.928302     -2.506039      1.179422
  C      -3.161186     -2.068023     -0.152756
  C      -2.957942     -0.758291     -0.545315
  C      -2.490937      0.160747      0.398982
  F      -2.306761      1.450491      0.016735
  C      -2.247963     -0.197559      1.702763
  C      -2.468965     -1.527384      2.128051
  C      -2.310851     -1.899175      3.506002
  O      -2.976968     -2.905530      3.983456
  C      -1.454766     -1.218870      4.461143
  F      -1.716385     -1.637731      5.736291
  S      -0.221271     -0.163231      4.230627
  C      -6.979994     -5.074480      3.720628
  C      -7.814931     -5.975356      4.413216
  C      -8.963296     -5.553009      5.071748
  C      -9.288578     -4.200271      5.036267
  F     -10.390351     -3.773364      5.702079
  C      -8.521653     -3.279383      4.349031
  C      -7.364581     -3.697366      3.668750
  C      -6.553677     -2.749044      2.912995
  O      -5.334841     -3.005654      2.619519
  C      -7.062060     -1.489785      2.368275
  F      -6.033799     -0.667845      2.007360
  S      -8.594134     -1.040253      2.012099
  C      -2.169390     -5.148525      5.571276
  C      -0.800111     -5.338416      5.866920
  C      -0.241281     -4.917927      7.064879
  C      -1.071404     -4.308681      8.003734
  F      -0.532551     -3.872254      9.170106
  C      -2.418521     -4.120011      7.776293
  C      -2.996670     -4.534013      6.561275
  C      -4.411051     -4.311861      6.309924
  O      -4.848296     -4.119355      5.096386
  C      -5.410659     -4.308099      7.344244
  F      -6.609358     -3.828252      6.883475
  S      -5.348682     -4.888703      8.886887
  H      -3.562172     -2.761478     -0.888218
  H      -3.176899     -0.433211     -1.562693
  H      -1.911978      0.551930      2.415125
  H      -7.535144     -7.026072      4.469943
  H      -9.589119     -6.252180      5.626666
  H      -8.815931     -2.232871      4.347430
  H      -0.145007     -5.781195      5.118864
  H       0.823492     -5.035320      7.266157
  H      -3.027128     -3.629139      8.531933
  N      -4.996139     -8.122227      5.823386
  H      -4.240945     -8.540054      6.373360
  H      -5.844088     -8.636432      6.076291
  H      -5.122683     -7.181386      6.209546
  N      -6.636560     -4.149504     -0.300430
  N      -7.155542     -3.271375     -0.719527
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.428322020448
  N      -3.108144     -3.831637      1.514912
  C      -3.076787     -4.742878      0.366865
  C      -2.702810     -6.105912      0.874023
  N      -3.613347     -6.451151      1.988467
  C      -4.890048     -6.993132      1.470778
  C      -5.900060     -6.901527      2.584196
  N      -5.822867     -5.534634      3.094276
  Mo     -4.027276     -4.505120      3.266371
  N      -2.679359     -5.571242      4.337996
  C      -1.974564     -6.712320      3.752016
  C      -2.969443     -7.441086      2.888264
  H      -1.611720     -7.388101      4.540760
  H      -1.094539     -6.380164      3.172534
  H      -3.737254     -7.881561      3.538792
  H      -2.499882     -8.236445      2.285448
  H      -6.909031     -7.104846      2.193184
  H      -5.690933     -7.640363      3.379497
  H      -5.212505     -6.372087      0.625954
  H      -4.739778     -8.028174      1.121211
  H      -2.325732     -4.408847     -0.364692
  H      -4.050930     -4.771491     -0.153137
  H      -1.674496     -6.083026      1.254937
  H      -2.767570     -6.875005      0.086648
  C      -2.921783     -2.503310      1.182463
  C      -3.153153     -2.061967     -0.149086
  C      -2.934132     -0.755057     -0.542277
  C      -2.452744      0.157578      0.401172
  F      -2.249819      1.444226      0.017805
  C      -2.215418     -0.202763      1.705315
  C      -2.453792     -1.529263      2.132118
  C      -2.311588     -1.901304      3.511818
  O      -2.993815     -2.900268      3.981669
  C      -1.460731     -1.228024      4.476715
  F      -1.745941     -1.637534      5.749584
  S      -0.213182     -0.187077      4.257838
  C      -6.980303     -5.079440      3.723801
  C      -7.808422     -5.980898      4.423549
  C      -8.957390     -5.560956      5.082699
  C      -9.290157     -4.210562      5.039822
  F     -10.393095     -3.785348      5.704940
  C      -8.529668     -3.288988      4.345889
  C      -7.371864     -3.704371      3.665832
  C      -6.564648     -2.755657      2.904967
  O      -5.346407     -3.010011      2.610760
  C      -7.078194     -1.498713      2.356825
  F      -6.052716     -0.671897      2.001473
  S      -8.610852     -1.060124      1.991748
  C      -2.173969     -5.145740      5.567034
  C      -0.804641     -5.335891      5.862711
  C      -0.244574     -4.915804      7.060191
  C      -1.074632     -4.306427      7.999081
  F      -0.536015     -3.869579      9.165353
  C      -2.421660     -4.117612      7.771886
  C      -3.001312     -4.531537      6.557399
  C      -4.415769     -4.311054      6.307540
  O      -4.855051     -4.121671      5.095109
  C      -5.414236     -4.306017      7.343946
  F      -6.613421     -3.826813      6.883013
  S      -5.350831     -4.883543      8.887069
  H      -3.565975     -2.750157     -0.882942
  H      -3.152663     -0.427599     -1.558945
  H      -1.871339      0.542933      2.417792
  H      -7.521525     -7.029329      4.485869
  H      -9.577652     -6.260328      5.643560
  H      -8.829943     -2.244247      4.338647
  H      -0.151058     -5.777996      5.112982
  H       0.820459     -5.032843      7.260013
  H      -3.029010     -3.624837      8.527201
  N      -4.984545     -8.110819      5.831096
  H      -4.220210     -8.531577      6.366050
  H      -5.833435     -8.605694      6.116931
  H      -5.083569     -7.161342      6.203925
  N      -6.661652     -4.153172     -0.299953
  N      -7.182958     -3.272230     -0.710291
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.428355160690
  N      -3.109625     -3.830204      1.516108
  C      -3.083680     -4.740123      0.366638
  C      -2.708400     -6.103662      0.870912
  N      -3.616793     -6.449889      1.987232
  C      -4.893308     -6.994205      1.470803
  C      -5.901587     -6.903251      2.585866
  N      -5.824291     -5.536528      3.094494
  Mo     -4.029946     -4.505677      3.264551
  N      -2.681691     -5.570087      4.335671
  C      -1.975941     -6.709868      3.748750
  C      -2.970036     -7.439842      2.885701
  H      -1.610431     -7.386143      4.535909
  H      -1.096762     -6.376039      3.168768
  H      -3.736643     -7.882874      3.535810
  H      -2.500158     -8.234024      2.281643
  H      -6.910561     -7.109451      2.196259
  H      -5.689985     -7.642047      3.380679
  H      -5.217039     -6.374024      0.625761
  H      -4.742647     -8.028928      1.120493
  H      -2.334616     -4.406599     -0.367290
  H      -4.059362     -4.765641     -0.150611
  H      -1.679245     -6.079805      1.249618
  H      -2.774000     -6.872889      0.083861
  C      -2.919161     -2.502321      1.184344
  C      -3.148424     -2.058881     -0.147045
  C      -2.921718     -0.753182     -0.539607
  C      -2.434753      0.156096      0.404196
  F      -2.223281      1.441461      0.020759
  C      -2.201210     -0.205620      1.708527
  C      -2.447753     -1.530721      2.135137
  C      -2.313104     -1.903397      3.515352
  O      -3.004101     -2.898153      3.981774
  C      -1.463766     -1.233514      4.484069
  F      -1.760087     -1.637204      5.755900
  S      -0.208937     -0.200559      4.269495
  C      -6.981449     -5.081696      3.725154
  C      -7.807813     -5.983049      4.427339
  C      -8.956793     -5.563786      5.086733
  C      -9.291693     -4.214030      5.042018
  F     -10.394650     -3.789046      5.707269
  C      -8.533168     -3.292557      4.345695
  C      -7.375730     -3.707488      3.665262
  C      -6.570332     -2.759008      2.901451
  O      -5.352724     -3.012708      2.606513
  C      -7.086528     -1.503499      2.352094
  F      -6.062500     -0.673683      1.999796
  S      -8.619701     -1.071583      1.982728
  C      -2.175552     -5.144658      5.564564
  C      -0.805993     -5.334318      5.860079
  C      -0.245735     -4.913427      7.057125
  C      -1.075470     -4.303464      7.995912
  F      -0.536355     -3.865638      9.161581
  C      -2.422652     -4.115337      7.769120
  C      -3.002543     -4.530590      6.555281
  C      -4.418016     -4.312837      6.307048
  O      -4.859960     -4.124603      5.095702
  C      -5.414073     -4.309491      7.346172
  F      -6.615227     -3.833014      6.887279
  S      -5.345192     -4.887523      8.888530
  H      -3.565960     -2.744774     -0.880384
  H      -3.138715     -0.423921     -1.556023
  H      -1.854609      0.538128      2.421812
  H      -7.518576     -7.030786      4.491031
  H      -9.575750     -6.263175      5.649027
  H      -8.835214     -2.248303      4.336779
  H      -0.152718     -5.776661      5.110236
  H       0.819321     -5.030619      7.256752
  H      -3.029514     -3.621330      8.524033
  N      -4.977655     -8.101446      5.835940
  H      -4.208958     -8.523715      6.363474
  H      -5.825779     -8.586561      6.140140
  H      -5.062801     -7.147154      6.199424
  N      -6.677339     -4.154513     -0.296404
  N      -7.172922     -3.273749     -0.737802
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.428399881698
  N      -3.110891     -3.829590      1.516982
  C      -3.091878     -4.738165      0.365666
  C      -2.714643     -6.102328      0.865799
  N      -3.619650     -6.451086      1.984459
  C      -4.896277     -6.998103      1.470188
  C      -5.902820     -6.907059      2.586853
  N      -5.826529     -5.540058      3.091890
  Mo     -4.033096     -4.507595      3.260970
  N      -2.685093     -5.569190      4.331954
  C      -1.977176     -6.706990      3.743965
  C      -2.968835     -7.439984      2.881827
  H      -1.606948     -7.382650      4.529534
  H      -1.099577     -6.370136      3.163012
  H      -3.733808     -7.887080      3.530981
  H      -2.497781     -8.232575      2.276676
  H      -6.911566     -7.119111      2.199863
  H      -5.686600     -7.644922      3.381627
  H      -5.221354     -6.379579      0.624256
  H      -4.745895     -8.032669      1.119195
  H      -2.345287     -4.405318     -0.371227
  H      -4.069595     -4.758374     -0.147788
  H      -1.684394     -6.076317      1.241829
  H      -2.780318     -6.871862      0.079216
  C      -2.914292     -2.502330      1.186130
  C      -3.138979     -2.055680     -0.145142
  C      -2.901400     -0.751528     -0.536095
  C      -2.408074      0.152881      0.408986
  F      -2.184905      1.436646      0.026153
  C      -2.180855     -0.211182      1.713618
  C      -2.439381     -1.534330      2.139144
  C      -2.316272     -1.907686      3.519943
  O      -3.020186     -2.896345      3.981390
  C      -1.469893     -1.241855      4.493912
  F      -1.781606     -1.637293      5.764125
  S      -0.204269     -0.220770      4.285478
  C      -6.983865     -5.085207      3.722696
  C      -7.808793     -5.985846      4.427850
  C      -8.957437     -5.566900      5.087766
  C      -9.293963     -4.217530      5.041773
  F     -10.396381     -3.792320      5.707681
  C      -8.537095     -3.296724      4.342770
  C      -7.380671     -3.711925      3.661389
  C      -6.576854     -2.764085      2.894818
  O      -5.360377     -3.018028      2.599376
  C      -7.094166     -1.508507      2.346596
  F      -6.070678     -0.675889      1.998765
  S      -8.627480     -1.081753      1.974325
  C      -2.178202     -5.143661      5.560711
  C      -0.807941     -5.329950      5.855653
  C      -0.248255     -4.906206      7.051891
  C      -1.078213     -4.296088      7.990256
  F      -0.538591     -3.855042      9.154498
  C      -2.426043     -4.111439      7.764178
  C      -3.005549     -4.530926      6.551816
  C      -4.423288     -4.318605      6.305656
  O      -4.869601     -4.131961      5.096092
  C      -5.416422     -4.320086      7.348109
  F      -6.620410     -3.847622      6.891955
  S      -5.340474     -4.900532      8.888961
  H      -3.561382     -2.738610     -0.878469
  H      -3.114289     -0.419432     -1.552470
  H      -1.831086      0.529503      2.428604
  H      -7.517468     -7.033000      4.492879
  H      -9.575439     -6.266188      5.651263
  H      -8.840259     -2.252709      4.332585
  H      -0.153955     -5.772059      5.106283
  H       0.816985     -5.022010      7.251505
  H      -3.033059     -3.616580      8.518384
  N      -4.965850     -8.079786      5.842313
  H      -4.191324     -8.503010      6.360571
  H      -5.811883     -8.550189      6.174381
  H      -5.032250     -7.118118      6.189288
  N      -6.699324     -4.156091     -0.288501
  N      -7.198623     -3.268084     -0.710559
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.428432936468
  N      -3.112689     -3.829292      1.517205
  C      -3.098621     -4.737269      0.364767
  C      -2.720720     -6.102125      0.862006
  N      -3.622016     -6.452932      1.982896
  C      -4.899642     -7.000937      1.471963
  C      -5.904494     -6.909638      2.590168
  N      -5.829921     -5.541680      3.091939
  Mo     -4.034981     -4.508321      3.259652
  N      -2.686114     -5.567958      4.329573
  C      -1.976749     -6.704237      3.739794
  C      -2.967677     -7.439974      2.879605
  H      -1.602102     -7.378116      4.524786
  H      -1.101586     -6.364699      3.156613
  H      -3.730782     -7.888945      3.529731
  H      -2.496298     -8.232013      2.273989
  H      -6.913563     -7.125730      2.206512
  H      -5.683868     -7.645936      3.385440
  H      -5.226640     -6.383356      0.625990
  H      -4.749789     -8.035625      1.120934
  H      -2.353799     -4.404682     -0.374032
  H      -4.078192     -4.753789     -0.145280
  H      -1.689357     -6.075679      1.235227
  H      -2.787713     -6.871283      0.075193
  C      -2.912844     -2.502291      1.187183
  C      -3.134742     -2.053405     -0.143772
  C      -2.891910     -0.749699     -0.532918
  C      -2.396113      0.151870      0.413546
  F      -2.167899      1.435261      0.032166
  C      -2.171691     -0.214344      1.718035
  C      -2.436396     -1.536829      2.141829
  C      -2.319526     -1.910595      3.522770
  O      -3.031387     -2.895233      3.982356
  C      -1.473874     -1.247683      4.498823
  F      -1.793324     -1.638119      5.768519
  S      -0.199971     -0.235993      4.293222
  C      -6.986885     -5.086404      3.722517
  C      -7.811386     -5.986066      4.429563
  C      -8.958853     -5.566219      5.090698
  C      -9.294747     -4.216461      5.045058
  F     -10.395549     -3.790518      5.712972
  C      -8.538479     -3.296712      4.344210
  C      -7.383623     -3.713262      3.660796
  C      -6.580589     -2.766590      2.892514
  O      -5.365027     -3.020987      2.595739
  C      -7.097695     -1.510808      2.343959
  F      -6.074243     -0.676715      1.999234
  S      -8.630581     -1.086063      1.969040
  C      -2.178725     -5.142573      5.558218
  C      -0.807767     -5.324831      5.851929
  C      -0.249214     -4.900007      7.048403
  C      -1.080271     -4.293187      7.987782
  F      -0.541004     -3.851722      9.152055
  C      -2.428934     -4.112637      7.762607
  C      -3.007028     -4.533063      6.550158
  C      -4.426515     -4.324843      6.305620
  O      -4.876266     -4.137271      5.097522
  C      -5.417306     -4.332294      7.350113
  F      -6.624297     -3.864068      6.897204
  S      -5.335678     -4.916724      8.889403
  H      -3.558241     -2.734542     -0.878117
  H      -3.101605     -0.415449     -1.549262
  H      -1.819867      0.524192      2.434290
  H      -7.520254     -7.033309      4.494988
  H      -9.576613     -6.264901      5.655237
  H      -8.840776     -2.252441      4.334625
  H      -0.152246     -5.764991      5.102718
  H       0.816306     -5.013412      7.248046
  H      -3.037444     -3.621094      8.517852
  N      -4.956613     -8.063966      5.845280
  H      -4.179123     -8.484110      6.361595
  H      -5.800674     -8.526276      6.193564
  H      -5.015444     -7.097318      6.179357
  N      -6.714826     -4.158306     -0.279834
  N      -7.175008     -3.276185     -0.755081
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.428476712812
  N      -3.114632     -3.831512      1.517108
  C      -3.105241     -4.738886      0.363257
  C      -2.727225     -6.104685      0.856844
  N      -3.623857     -6.459116      1.979630
  C      -4.902621     -7.007530      1.472714
  C      -5.906202     -6.915261      2.591749
  N      -5.835539     -5.545352      3.088536
  Mo     -4.037099     -4.511723      3.256970
  N      -2.687201     -5.567781      4.325333
  C      -1.975316     -6.702150      3.733661
  C      -2.965153     -7.442398      2.876426
  H      -1.594739     -7.371945      4.519191
  H      -1.103938     -6.358929      3.146921
  H      -3.725929     -7.892701      3.528489
  H      -2.492815     -8.234213      2.271219
  H      -6.915554     -7.136670      2.212322
  H      -5.680081     -7.648266      3.388720
  H      -5.231327     -6.391057      0.626475
  H      -4.753461     -8.042709      1.122549
  H      -2.361665     -4.406232     -0.376663
  H      -4.086782     -4.750627     -0.143005
  H      -1.694667     -6.078339      1.227111
  H      -2.795509     -6.872407      0.068695
  C      -2.908652     -2.505072      1.188642
  C      -3.124204     -2.053328     -0.142195
  C      -2.872918     -0.750380     -0.528506
  C      -2.375293      0.147175      0.420789
  F      -2.139478      1.430031      0.042133
  C      -2.156679     -0.222141      1.725446
  C      -2.431177     -1.543626      2.146258
  C      -2.325754     -1.917379      3.527784
  O      -3.050384     -2.895725      3.984317
  C      -1.482433     -1.259564      4.507878
  F      -1.815705     -1.641675      5.776659
  S      -0.195793     -0.261908      4.308987
  C      -6.992982     -5.090030      3.716907
  C      -7.819276     -5.989112      4.422748
  C      -8.966880     -5.568421      5.082791
  C      -9.301453     -4.217885      5.038517
  F     -10.402041     -3.791929      5.706292
  C      -8.543513     -3.298873      4.338914
  C      -7.388529     -3.716809      3.655965
  C      -6.584679     -2.771126      2.889215
  O      -5.370477     -3.026895      2.590635
  C      -7.098805     -1.511622      2.344897
  F      -6.073984     -0.677291      2.005048
  S      -8.630434     -1.084358      1.969966
  C      -2.178957     -5.141061      5.553473
  C      -0.806424     -5.314441      5.843460
  C      -0.248762     -4.885573      7.039171
  C      -1.081399     -4.284144      7.980275
  F      -0.542170     -3.839599      9.143374
  C      -2.431975     -4.112496      7.757965
  C      -3.008701     -4.536963      6.546674
  C      -4.431260     -4.337272      6.305600
  O      -4.887664     -4.150825      5.099862
  C      -5.417916     -4.353421      7.353402
  F      -6.630149     -3.893034      6.905676
  S      -5.327659     -4.940694      8.891867
  H      -3.547648     -2.731678     -0.879154
  H      -3.075791     -0.413082     -1.545239
  H      -1.802445      0.513135      2.443892
  H      -7.529571     -7.036765      4.488425
  H      -9.586041     -6.266854      5.646119
  H      -8.844280     -2.254098      4.330397
  H      -0.148383     -5.750957      5.094276
  H       0.817698     -4.992571      7.237485
  H      -3.042909     -3.626862      8.515130
  N      -4.939846     -8.023632      5.848951
  H      -4.157435     -8.436174      6.364058
  H      -5.780582     -8.470432      6.224888
  H      -4.987433     -7.048489      6.159207
  N      -6.737990     -4.160078     -0.259349
  N      -7.196309     -3.266916     -0.715221
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.428505257423
  N      -3.115404     -3.832470      1.517423
  C      -3.107533     -4.739286      0.363078
  C      -2.730485     -6.105848      0.855561
  N      -3.625607     -6.460620      1.979048
  C      -4.904693     -7.009200      1.474055
  C      -5.907313     -6.916679      2.593742
  N      -5.838533     -5.545390      3.088666
  Mo     -4.037803     -4.512290      3.257150
  N      -2.686703     -5.567320      4.323776
  C      -1.974166     -6.701077      3.731317
  C      -2.965284     -7.442365      2.875833
  H      -1.592335     -7.369466      4.517319
  H      -1.104492     -6.356766      3.142890
  H      -3.724894     -7.891567      3.530083
  H      -2.492929     -8.234497      2.271003
  H      -6.917067     -7.138289      2.215529
  H      -5.680231     -7.647485      3.392252
  H      -5.234579     -6.392859      0.628258
  H      -4.755122     -8.044726      1.125111
  H      -2.364300     -4.406392     -0.376930
  H      -4.089862     -4.750973     -0.141751
  H      -1.697313     -6.081840      1.224055
  H      -2.801245     -6.871880      0.065889
  C      -2.907600     -2.506027      1.190215
  C      -3.121867     -2.053102     -0.140359
  C      -2.868152     -0.750261     -0.525598
  C      -2.369509      0.145799      0.424672
  F      -2.131291      1.428504      0.047337
  C      -2.152214     -0.224839      1.729254
  C      -2.429766     -1.546154      2.148846
  C      -2.327966     -1.919633      3.530662
  O      -3.056467     -2.895882      3.986865
  C      -1.485439     -1.263836      4.512044
  F      -1.821894     -1.644474      5.780775
  S      -0.195482     -0.269785      4.315596
  C      -6.995389     -5.090622      3.717174
  C      -7.822163     -5.989726      4.422422
  C      -8.969413     -5.568282      5.082546
  C      -9.303102     -4.217413      5.038871
  F     -10.403373     -3.791507      5.707072
  C      -8.544729     -3.298450      4.339794
  C      -7.389815     -3.716926      3.656529
  C      -6.585897     -2.771782      2.889881
  O      -5.372168     -3.027471      2.589538
  C      -7.099794     -1.511546      2.345047
  F      -6.074986     -0.677072      2.007250
  S      -8.630705     -1.084150      1.967540
  C      -2.178457     -5.139613      5.551880
  C      -0.805273     -5.309578      5.839490
  C      -0.246974     -4.879420      7.034632
  C      -1.080014     -4.280422      7.976814
  F      -0.540676     -3.834594      9.139308
  C      -2.431462     -4.112207      7.756421
  C      -3.008715     -4.537950      6.545849
  C      -4.431967     -4.341556      6.306199
  O      -4.889855     -4.155250      5.100863
  C      -5.418018     -4.361203      7.353990
  F      -6.631983     -3.903811      6.907551
  S      -5.326508     -4.948311      8.892962
  H      -3.545554     -2.729580     -0.878875
  H      -3.069574     -0.411775     -1.542214
  H      -1.796687      0.509212      2.448311
  H      -7.533505     -7.037584      4.488502
  H      -9.588696     -6.266345      5.646195
  H      -8.844710     -2.253505      4.331967
  H      -0.146862     -5.743999      5.089398
  H       0.820125     -4.982820      7.231327
  H      -3.042898     -3.628911      8.514611
  N      -4.934755     -8.015244      5.846595
  H      -4.151856     -8.419822      6.367351
  H      -5.774879     -8.459744      6.226748
  H      -4.984930     -7.037473      6.148346
  N      -6.744545     -4.162459     -0.253287
  N      -7.183779     -3.275520     -0.739260
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.428543725244
  N      -3.116091     -3.836262      1.518282
  C      -3.107220     -4.742238      0.363620
  C      -2.732228     -6.109772      0.855592
  N      -3.627281     -6.464154      1.978581
  C      -4.906089     -7.012069      1.474023
  C      -5.908799     -6.918647      2.592886
  N      -5.843111     -5.545241      3.085739
  Mo     -4.038614     -4.514396      3.257640
  N      -2.685580     -5.567673      4.321246
  C      -1.972917     -6.701918      3.729567
  C      -2.966765     -7.443880      2.876611
  H      -1.591496     -7.368556      4.517064
  H      -1.104647     -6.357688      3.139390
  H      -3.725706     -7.888897      3.534571
  H      -2.494786     -8.237808      2.273747
  H      -6.918496     -7.139170      2.213696
  H      -5.683106     -7.645795      3.394571
  H      -5.235756     -6.395208      0.628682
  H      -4.756210     -8.048201      1.127125
  H      -2.362970     -4.408792     -0.374893
  H      -4.089453     -4.755444     -0.141434
  H      -1.698657     -6.090074      1.222650
  H      -2.806189     -6.872779      0.063111
  C      -2.905536     -2.509963      1.192716
  C      -3.116387     -2.056898     -0.138305
  C      -2.860069     -0.754341     -0.522965
  C      -2.362704      0.140999      0.428771
  F      -2.122015      1.423409      0.052638
  C      -2.149173     -0.230005      1.733980
  C      -2.429442     -1.551223      2.152722
  C      -2.332882     -1.923447      3.535368
  O      -3.065459     -2.897756      3.991851
  C      -1.492159     -1.269869      4.518611
  F      -1.832628     -1.649204      5.787307
  S      -0.200587     -0.276748      4.326633
  C      -6.999537     -5.092344      3.714004
  C      -7.829517     -5.992809      4.413947
  C      -8.977348     -5.570947      5.072749
  C      -9.308747     -4.219384      5.032559
  F     -10.410020     -3.794527      5.699669
  C      -8.547507     -3.299049      4.338605
  C      -7.391287     -3.717227      3.656726
  C      -6.585952     -2.771681      2.893294
  O      -5.373062     -3.027642      2.589717
  C      -7.098496     -1.508137      2.351315
  F      -6.072863     -0.674307      2.018189
  S      -8.628050     -1.077110      1.972539
  C      -2.176995     -5.137094      5.549062
  C      -0.802748     -5.302117      5.832327
  C      -0.242358     -4.869588      7.025974
  C      -1.075513     -4.273833      7.969961
  F      -0.535669     -3.825887      9.131241
  C      -2.428366     -4.110698      7.753272
  C      -3.007363     -4.538399      6.544251
  C      -4.431628     -4.348955      6.307811
  O      -4.892497     -4.167524      5.102561
  C      -5.415408     -4.370896      7.356623
  F      -6.634169     -3.924833      6.910888
  S      -5.318532     -4.948573      8.899613
  H      -3.539098     -2.731242     -0.879340
  H      -3.058895     -0.415341     -1.539898
  H      -1.794592      0.503640      2.453793
  H      -7.543768     -7.041382      4.478835
  H      -9.598474     -6.269423      5.633845
  H      -8.845794     -2.253676      4.333266
  H      -0.144726     -5.733966      5.080411
  H       0.825812     -4.967412      7.219437
  H      -3.040075     -3.630416      8.513100
  N      -4.924318     -7.994408      5.840399
  H      -4.141643     -8.381653      6.374825
  H      -5.764027     -8.436794      6.224160
  H      -4.983626     -7.012328      6.126769
  N      -6.752884     -4.164135     -0.240169
  N      -7.189132     -3.271602     -0.718718
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.428566181516
  N      -3.116352     -3.838070      1.519814
  C      -3.107867     -4.743167      0.364721
  C      -2.733896     -6.111501      0.855819
  N      -3.629198     -6.464877      1.978999
  C      -4.907643     -7.013249      1.474184
  C      -5.910452     -6.919287      2.592592
  N      -5.845865     -5.544949      3.083962
  Mo     -4.039670     -4.515270      3.258037
  N      -2.685417     -5.567280      4.319535
  C      -1.973286     -6.702230      3.728882
  C      -2.968791     -7.444264      2.877570
  H      -1.592290     -7.368889      4.516535
  H      -1.105256     -6.358611      3.138095
  H      -3.727348     -7.887123      3.537467
  H      -2.497609     -8.239299      2.275539
  H      -6.919725     -7.139885      2.212093
  H      -5.685702     -7.644813      3.395783
  H      -5.237062     -6.396409      0.628766
  H      -4.757648     -8.049554      1.127979
  H      -2.363441     -4.409810     -0.373609
  H      -4.090069     -4.756587     -0.140445
  H      -1.699901     -6.094259      1.221556
  H      -2.810193     -6.873216      0.062305
  C      -2.904014     -2.511705      1.195344
  C      -3.112953     -2.057850     -0.135839
  C      -2.853755     -0.755729     -0.520071
  C      -2.355479      0.138343      0.432407
  F      -2.111274      1.420218      0.056726
  C      -2.145033     -0.233078      1.737948
  C      -2.428429     -1.553826      2.156424
  C      -2.336102     -1.925476      3.539501
  O      -3.072372     -2.898053      3.995166
  C      -1.497093     -1.272972      4.524604
  F      -1.841479     -1.650974      5.792748
  S      -0.204192     -0.280956      4.335918
  C      -7.001703     -5.093011      3.712819
  C      -7.833299     -5.993739      4.410792
  C      -8.980842     -5.571278      5.069687
  C      -9.310715     -4.219372      5.031550
  F     -10.411909     -3.794397      5.698839
  C      -8.548318     -3.298621      4.339451
  C      -7.392352     -3.717075      3.657391
  C      -6.586956     -2.771691      2.894041
  O      -5.374847     -3.027454      2.588527
  C      -7.100240     -1.507228      2.352809
  F      -6.074832     -0.672535      2.023085
  S      -8.629363     -1.077692      1.971295
  C      -2.176339     -5.135253      5.547167
  C      -0.801473     -5.298070      5.828075
  C      -0.239321     -4.863731      7.020314
  C      -1.071943     -4.268099      7.964779
  F      -0.531209     -3.817772      9.124670
  C      -2.425478     -4.107237      7.750353
  C      -3.006403     -4.537423      6.543128
  C      -4.431564     -4.352520      6.308656
  O      -4.893948     -4.175600      5.103150
  C      -5.414333     -4.375670      7.358022
  F      -6.635584     -3.936588      6.911530
  S      -5.314272     -4.946479      8.903526
  H      -3.536760     -2.730394     -0.877860
  H      -3.051509     -0.416156     -1.537011
  H      -1.790871      0.500095      2.458421
  H      -7.549249     -7.042789      4.474572
  H      -9.602966     -6.269782      5.629651
  H      -8.845495     -2.252939      4.335414
  H      -0.144565     -5.729467      5.074930
  H       0.829375     -4.959347      7.211829
  H      -3.036385     -3.626337      8.510346
  N      -4.916281     -7.989265      5.835461
  H      -4.134209     -8.363853      6.379890
  H      -5.755200     -8.431636      6.221101
  H      -4.982636     -7.004131      6.109920
  N      -6.760193     -4.168241     -0.236280
  N      -7.189039     -3.275974     -0.722093
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.428619233319
  N      -3.117877     -3.843242      1.523871
  C      -3.105976     -4.746651      0.368262
  C      -2.734227     -6.116190      0.858703
  N      -3.632548     -6.467098      1.980657
  C      -4.909666     -7.015124      1.471503
  C      -5.915904     -6.919797      2.586037
  N      -5.852721     -5.544730      3.076392
  Mo     -4.042356     -4.518744      3.259184
  N      -2.685508     -5.568064      4.316433
  C      -1.976541     -6.706657      3.730020
  C      -2.975541     -7.447344      2.881247
  H      -1.598869     -7.374101      4.518639
  H      -1.106818     -6.367311      3.139305
  H      -3.734836     -7.884178      3.544415
  H      -2.507463     -8.245852      2.281437
  H      -6.923186     -7.139807      2.199525
  H      -5.695817     -7.644186      3.391216
  H      -5.235749     -6.397628      0.625279
  H      -4.759897     -8.051459      1.125561
  H      -2.359497     -4.413196     -0.367974
  H      -4.086455     -4.760572     -0.140346
  H      -1.700192     -6.102826      1.224066
  H      -2.813097     -6.876265      0.063935
  C      -2.901978     -2.516807      1.201133
  C      -3.104179     -2.062889     -0.131290
  C      -2.839712     -0.761821     -0.515506
  C      -2.342774      0.131036      0.438738
  F      -2.091986      1.411798      0.063259
  C      -2.141027     -0.239838      1.745617
  C      -2.429822     -1.559501      2.164434
  C      -2.346077     -1.929467      3.548393
  O      -3.088121     -2.900101      4.002316
  C      -1.511994     -1.276799      4.537082
  F      -1.864013     -1.652336      5.803856
  S      -0.219076     -0.283427      4.355267
  C      -7.007600     -5.095021      3.706340
  C      -7.844528     -5.997013      4.397048
  C      -8.991173     -5.574002      5.057006
  C      -9.316002     -4.220846      5.027637
  F     -10.416472     -3.795961      5.696494
  C      -8.549710     -3.298345      4.342337
  C      -7.394844     -3.716846      3.658831
  C      -6.588257     -2.770699      2.898248
  O      -5.378077     -3.026849      2.588847
  C      -7.101624     -1.502494      2.361902
  F      -6.075609     -0.665526      2.042962
  S      -8.629367     -1.073820      1.976062
  C      -2.174437     -5.132558      5.543124
  C      -0.798248     -5.291415      5.818934
  C      -0.231702     -4.852764      7.007602
  C      -1.062479     -4.256182      7.952985
  F      -0.519145     -3.800869      9.109647
  C      -2.417323     -4.099396      7.743624
  C      -3.002896     -4.534952      6.540709
  C      -4.430391     -4.360696      6.311518
  O      -4.897667     -4.200694      5.105193
  C      -5.409183     -4.380421      7.364066
  F      -6.637295     -3.962810      6.913967
  S      -5.298729     -4.925383      8.918166
  H      -3.527849     -2.733557     -0.875110
  H      -3.033456     -0.422562     -1.533294
  H      -1.790297      0.493503      2.467544
  H      -7.565619     -7.047722      4.454737
  H      -9.616822     -6.273665      5.611602
  H      -8.842992     -2.251570      4.344301
  H      -0.144749     -5.723703      5.063336
  H       0.837912     -4.945489      7.195088
  H      -3.026038     -3.616671      8.504148
  N      -4.892526     -7.971519      5.823717
  H      -4.112505     -8.315741      6.391118
  H      -5.729478     -8.413891      6.213904
  H      -4.976389     -6.979577      6.067545
  N      -6.778602     -4.176122     -0.224117
  N      -7.196409     -3.278383     -0.709432
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.428678251778
  N      -3.120017     -3.847951      1.528811
  C      -3.106289     -4.749578      0.372237
  C      -2.736397     -6.120475      0.861150
  N      -3.636912     -6.469519      1.982649
  C      -4.912788     -7.018113      1.469548
  C      -5.923137     -6.920757      2.579973
  N      -5.861710     -5.544863      3.067343
  Mo     -4.045491     -4.522680      3.260248
  N      -2.685884     -5.568600      4.312653
  C      -1.980519     -6.711165      3.730563
  C      -2.982463     -7.450988      2.884516
  H      -1.605383     -7.378832      4.520294
  H      -1.109044     -6.376689      3.139579
  H      -3.741861     -7.883416      3.550638
  H      -2.517904     -8.252253      2.285721
  H      -6.928174     -7.142424      2.188313
  H      -5.706147     -7.644443      3.386626
  H      -5.235839     -6.401310      0.621559
  H      -4.762704     -8.054516      1.124198
  H      -2.358623     -4.416152     -0.362855
  H      -4.085610     -4.762334     -0.138775
  H      -1.702171     -6.110061      1.225957
  H      -2.817667     -6.879747      0.066004
  C      -2.898935     -2.521366      1.208348
  C      -3.093601     -2.065816     -0.124812
  C      -2.821095     -0.766147     -0.508110
  C      -2.323337      0.123630      0.448485
  F      -2.063022      1.403024      0.074107
  C      -2.131302     -0.248009      1.756369
  C      -2.428991     -1.565986      2.174842
  C      -2.357946     -1.934310      3.559692
  O      -3.109917     -2.901135      4.009233
  C      -1.531173     -1.282162      4.554337
  F      -1.897870     -1.651376      5.818588
  S      -0.232970     -0.293627      4.382908
  C      -7.015130     -5.096434      3.698671
  C      -7.857032     -5.998261      4.384341
  C      -9.001874     -5.573783      5.046281
  C      -9.321470     -4.219275      5.024817
  F     -10.420096     -3.793386      5.696280
  C      -8.551848     -3.296405      4.343970
  C      -7.399071     -3.716337      3.658271
  C      -6.591551     -2.770599      2.899146
  O      -5.383736     -3.027378      2.586692
  C      -7.105235     -1.498927      2.367059
  F      -6.078971     -0.658425      2.060437
  S      -8.631432     -1.074392      1.974423
  C      -2.172307     -5.129430      5.538142
  C      -0.794607     -5.282962      5.808297
  C      -0.223592     -4.838860      6.992890
  C      -1.052403     -4.241274      7.939159
  F      -0.506098     -3.780082      9.092087
  C      -2.408732     -4.089613      7.735257
  C      -2.999054     -4.531792      6.537388
  C      -4.429657     -4.369076      6.314259
  O      -4.903079     -4.230826      5.107353
  C      -5.403934     -4.382980      7.370707
  F      -6.639107     -3.989380      6.916014
  S      -5.282756     -4.897503      8.934135
  H      -3.518354     -2.733931     -0.870302
  H      -3.009686     -0.426316     -1.526650
  H      -1.782166      0.484129      2.480310
  H      -7.583693     -7.050764      4.435881
  H      -9.630870     -6.273990      5.596431
  H      -8.840775     -2.248384      4.351260
  H      -0.144760     -5.716632      5.050309
  H       0.846947     -4.928774      7.176201
  H      -3.015263     -3.605664      8.496701
  N      -4.859908     -7.959062      5.808791
  H      -4.083264     -8.266228      6.401851
  H      -5.693719     -8.399189      6.208493
  H      -4.961858     -6.959509      6.011029
  N      -6.804850     -4.193543     -0.214368
  N      -7.212193     -3.288020     -0.693942
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.428725300019
  N      -3.120287     -3.851248      1.536829
  C      -3.105065     -4.752390      0.379726
  C      -2.735033     -6.123163      0.868420
  N      -3.636965     -6.472705      1.989156
  C      -4.912347     -7.020799      1.472720
  C      -5.926646     -6.922342      2.580074
  N      -5.864652     -5.547454      3.067194
  Mo     -4.045156     -4.527545      3.266608
  N      -2.685439     -5.573416      4.317929
  C      -1.982507     -6.718085      3.737191
  C      -2.984171     -7.456567      2.890197
  H      -1.608882     -7.386146      4.527447
  H      -1.108981     -6.386803      3.147182
  H      -3.744108     -7.889933      3.555167
  H      -2.521278     -8.257606      2.289892
  H      -6.930403     -7.145229      2.185951
  H      -5.711139     -7.648688      3.385167
  H      -5.232766     -6.404678      0.623105
  H      -4.762092     -8.056996      1.126832
  H      -2.356861     -4.418721     -0.354816
  H      -4.083595     -4.763238     -0.132837
  H      -1.701396     -6.110918      1.235145
  H      -2.814227     -6.884025      0.074743
  C      -2.897137     -2.524768      1.216636
  C      -3.087824     -2.068926     -0.116889
  C      -2.812327     -0.769849     -0.499945
  C      -2.315072      0.118991      0.457682
  F      -2.051380      1.397979      0.083642
  C      -2.126851     -0.252878      1.765964
  C      -2.428120     -1.569995      2.184458
  C      -2.362118     -1.937725      3.569589
  O      -3.116942     -2.904229      4.016136
  C      -1.540061     -1.283548      4.566761
  F      -1.914926     -1.647707      5.829749
  S      -0.239512     -0.297237      4.399208
  C      -7.017422     -5.098049      3.699089
  C      -7.861076     -5.999139      4.383868
  C      -9.004378     -5.574091      5.047877
  C      -9.321638     -4.218797      5.030056
  F     -10.418279     -3.792017      5.704102
  C      -8.551129     -3.296534      4.349561
  C      -7.400088     -3.717603      3.661803
  C      -6.591766     -2.772249      2.903565
  O      -5.384541     -3.029923      2.592367
  C      -7.104721     -1.499409      2.373336
  F      -6.078244     -0.656030      2.073861
  S      -8.630502     -1.076591      1.979624
  C      -2.169619     -5.133387      5.542251
  C      -0.791587     -5.286639      5.810796
  C      -0.218643     -4.840088      6.993515
  C      -1.045646     -4.239867      7.939594
  F      -0.497165     -3.776560      9.090702
  C      -2.402241     -4.088231      7.737263
  C      -2.994534     -4.532986      6.541594
  C      -4.426587     -4.372421      6.321072
  O      -4.903846     -4.248762      5.114129
  C      -5.398312     -4.376686      7.380409
  F      -6.635467     -3.991899      6.922681
  S      -5.273030     -4.873822      8.948560
  H      -3.511825     -2.737847     -0.862140
  H      -2.997679     -0.430331     -1.519186
  H      -1.777877      0.478640      2.490704
  H      -7.590011     -7.052519      4.431727
  H      -9.634472     -6.274592      5.596425
  H      -8.837853     -2.247862      4.359437
  H      -0.143718     -5.723151      5.052707
  H       0.851953     -4.931610      7.175804
  H      -3.007371     -3.603100      8.499135
  N      -4.833281     -7.917281      5.765126
  H      -4.057043     -8.211985      6.365022
  H      -5.665149     -8.356010      6.170419
  H      -4.940975     -6.914941      5.948667
  N      -6.883368     -4.203252     -0.311685
  N      -7.304684     -3.307198     -0.796845
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.428879722634
  N      -3.125374     -3.850394      1.542510
  C      -3.107764     -4.749918      0.383856
  C      -2.736719     -6.120299      0.871606
  N      -3.640527     -6.471811      1.990831
  C      -4.914923     -7.017670      1.467368
  C      -5.937883     -6.916775      2.567712
  N      -5.875809     -5.543508      3.054112
  Mo     -4.046475     -4.530172      3.269899
  N      -2.685371     -5.575973      4.316570
  C      -1.987696     -6.724824      3.737422
  C      -2.990054     -7.460388      2.889032
  H      -1.616903     -7.392838      4.529269
  H      -1.110756     -6.399958      3.148525
  H      -3.750270     -7.894998      3.553028
  H      -2.530688     -8.260595      2.284972
  H      -6.939105     -7.141221      2.168205
  H      -5.725950     -7.647918      3.370043
  H      -5.229477     -6.402344      0.614582
  H      -4.764101     -8.053597      1.120962
  H      -2.359177     -4.414795     -0.349710
  H      -4.085454     -4.757764     -0.130487
  H      -1.704127     -6.104754      1.241526
  H      -2.812357     -6.883471      0.080023
  C      -2.898414     -2.524120      1.223138
  C      -3.081309     -2.067960     -0.111043
  C      -2.801092     -0.769766     -0.493474
  C      -2.306236      0.117631      0.466606
  F      -2.037390      1.396194      0.093852
  C      -2.125360     -0.254678      1.775730
  C      -2.432599     -1.570489      2.194022
  C      -2.377371     -1.936212      3.580130
  O      -3.137453     -2.902852      4.020986
  C      -1.566313     -1.277481      4.582480
  F      -1.957469     -1.632045      5.842968
  S      -0.260667     -0.295844      4.423735
  C      -7.027140     -5.092078      3.686335
  C      -7.876145     -5.991700      4.367178
  C      -9.017117     -5.564977      5.033530
  C      -9.329281     -4.207897      5.022590
  F     -10.422960     -3.779565      5.700063
  C      -8.555633     -3.287062      4.344248
  C      -7.406550     -3.710784      3.654623
  C      -6.595267     -2.766977      2.899514
  O      -5.388535     -3.026083      2.593294
  C      -7.106694     -1.493193      2.368153
  F      -6.080023     -0.644608      2.083019
  S      -8.629963     -1.078348      1.961524
  C      -2.163202     -5.132272      5.537337
  C      -0.783961     -5.283070      5.799406
  C      -0.204822     -4.828630      6.976261
  C      -1.026794     -4.222242      7.922483
  F      -0.472078     -3.751716      9.067666
  C      -2.384731     -4.072606      7.726229
  C      -2.983266     -4.525557      6.537335
  C      -4.418961     -4.372053      6.324764
  O      -4.906188     -4.284780      5.118459
  C      -5.384149     -4.352409      7.390584
  F      -6.626878     -3.990995      6.926730
  S      -5.249290     -4.804542      8.970581
  H      -3.502841     -2.738634     -0.856237
  H      -2.979899     -0.430961     -1.514118
  H      -1.777199      0.475787      2.502054
  H      -7.610894     -7.047017      4.408102
  H      -9.650253     -6.265830      5.578178
  H      -8.837640     -2.237064      4.358798
  H      -0.141126     -5.725544      5.040416
  H       0.866525     -4.920924      7.153875
  H      -2.986028     -3.585039      8.489633
  N      -4.818522     -7.988782      5.785106
  H      -4.043400     -8.250317      6.401699
  H      -5.646136     -8.420749      6.206231
  H      -4.937922     -6.980584      5.920080
  N      -6.872494     -4.242112     -0.299335
  N      -7.283983     -3.327888     -0.758368
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.429018945080
  N      -3.132586     -3.853665      1.547759
  C      -3.113296     -4.752357      0.387805
  C      -2.741818     -6.122621      0.874556
  N      -3.646352     -6.476810      1.992477
  C      -4.920035     -7.021022      1.464873
  C      -5.948305     -6.917491      2.560292
  N      -5.887968     -5.544152      3.044157
  Mo     -4.049490     -4.537095      3.273886
  N      -2.686313     -5.582605      4.315522
  C      -1.992832     -6.734759      3.737366
  C      -2.996524     -7.468076      2.888285
  H      -1.624317     -7.401917      4.531097
  H      -1.113846     -6.414710      3.148773
  H      -3.756632     -7.903789      3.552015
  H      -2.539248     -8.267449      2.281640
  H      -6.947919     -7.143906      2.157901
  H      -5.738103     -7.650528      3.361826
  H      -5.230683     -6.406835      0.609665
  H      -4.768833     -8.057281      1.119638
  H      -2.363957     -4.416326     -0.344463
  H      -4.090507     -4.758002     -0.127527
  H      -1.709994     -6.104773      1.246638
  H      -2.814563     -6.886647      0.083552
  C      -2.899594     -2.527639      1.230274
  C      -3.074833     -2.069350     -0.104149
  C      -2.788519     -0.771863     -0.484299
  C      -2.295215      0.112623      0.479154
  F      -2.020410      1.390861      0.109299
  C      -2.122083     -0.261579      1.788737
  C      -2.436311     -1.576492      2.204953
  C      -2.393092     -1.940723      3.591798
  O      -3.159576     -2.906606      4.027028
  C      -1.593116     -1.279827      4.600220
  F      -1.997535     -1.630816      5.857686
  S      -0.279363     -0.306633      4.452779
  C      -7.037027     -5.092525      3.678416
  C      -7.887964     -5.991423      4.358685
  C      -9.025725     -5.563256      5.028969
  C      -9.334810     -4.204869      5.022903
  F     -10.425096     -3.776011      5.705114
  C      -8.560805     -3.285049      4.344182
  C      -7.414181     -3.710691      3.651055
  C      -6.601966     -2.768672      2.896792
  O      -5.395041     -3.027495      2.595225
  C      -7.114102     -1.496341      2.360353
  F      -6.088399     -0.645207      2.080389
  S      -8.634763     -1.093381      1.935606
  C      -2.159303     -5.134654      5.533400
  C      -0.779022     -5.282102      5.789435
  C      -0.194776     -4.819431      6.960901
  C      -1.012694     -4.207356      7.906550
  F      -0.452979     -3.728546      9.045717
  C      -2.372080     -4.060968      7.715972
  C      -2.975975     -4.523494      6.533892
  C      -4.414736     -4.378698      6.328254
  O      -4.910196     -4.324942      5.123631
  C      -5.376377     -4.343465      7.397241
  F      -6.623916     -4.004462      6.927653
  S      -5.236203     -4.759131      8.986393
  H      -3.495201     -2.738933     -0.850859
  H      -2.960712     -0.431883     -1.505676
  H      -1.774538      0.466948      2.517340
  H      -7.626443     -7.047897      4.395658
  H      -9.659329     -6.264115      5.573127
  H      -8.839613     -2.234201      4.362342
  H      -0.139600     -5.729289      5.030322
  H       0.877397     -4.910400      7.134222
  H      -2.970295     -3.570577      8.479883
  N      -4.798432     -7.961780      5.748775
  H      -4.025077     -8.193760      6.379130
  H      -5.624649     -8.383798      6.182489
  H      -4.924356     -6.949519      5.839434
  N      -6.832886     -4.279127     -0.237935
  N      -7.224439     -3.342048     -0.667188
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.429114895959
  N      -3.138033     -3.853926      1.545189
  C      -3.114549     -4.754355      0.384618
  C      -2.745823     -6.124497      0.871757
  N      -3.647813     -6.487605      1.984973
  C      -4.921921     -7.024948      1.460717
  C      -5.947329     -6.917765      2.555213
  N      -5.898321     -5.537863      3.033277
  Mo     -4.043901     -4.542422      3.277733
  N      -2.674920     -5.590433      4.308897
  C      -1.983167     -6.743172      3.726357
  C      -2.993689     -7.474160      2.877992
  H      -1.617117     -7.403534      4.526262
  H      -1.107841     -6.422957      3.133854
  H      -3.752629     -7.907340      3.545702
  H      -2.532831     -8.272362      2.272425
  H      -6.949364     -7.141422      2.156866
  H      -5.736631     -7.641809      3.363890
  H      -5.231976     -6.409693      0.606873
  H      -4.771433     -8.064287      1.124332
  H      -2.360861     -4.416672     -0.341094
  H      -4.092193     -4.763977     -0.129615
  H      -1.715138     -6.108956      1.245574
  H      -2.815608     -6.881020      0.072186
  C      -2.893283     -2.528707      1.233398
  C      -3.059654     -2.065173     -0.100727
  C      -2.770111     -0.766077     -0.472952
  C      -2.285909      0.114743      0.498622
  F      -2.012474      1.395124      0.138894
  C      -2.120808     -0.265085      1.808162
  C      -2.437161     -1.583096      2.214869
  C      -2.407673     -1.945809      3.602922
  O      -3.177698     -2.913163      4.036733
  C      -1.621800     -1.289237      4.619367
  F      -2.030835     -1.652854      5.875168
  S      -0.297473     -0.325784      4.492513
  C      -7.042638     -5.092549      3.671875
  C      -7.889698     -5.995603      4.352993
  C      -9.024371     -5.566623      5.026806
  C      -9.335756     -4.207386      5.020515
  F     -10.425475     -3.784341      5.706075
  C      -8.565327     -3.285793      4.341694
  C      -7.416598     -3.710047      3.646972
  C      -6.604750     -2.770283      2.895686
  O      -5.393215     -3.023863      2.602192
  C      -7.119635     -1.505519      2.338281
  F      -6.096848     -0.662306      2.039419
  S      -8.635618     -1.118538      1.878989
  C      -2.145899     -5.134667      5.525249
  C      -0.764588     -5.273775      5.770095
  C      -0.175105     -4.801462      6.936900
  C      -0.990099     -4.189618      7.883992
  F      -0.427207     -3.700737      9.016229
  C      -2.352805     -4.053440      7.703176
  C      -2.961564     -4.528017      6.528260
  C      -4.401126     -4.400134      6.331680
  O      -4.906715     -4.379494      5.131924
  C      -5.364443     -4.366173      7.397517
  F      -6.617766     -4.052720      6.925016
  S      -5.229685     -4.755587      8.996388
  H      -3.474681     -2.726176     -0.857104
  H      -2.933136     -0.419711     -1.493611
  H      -1.777396      0.460496      2.541070
  H      -7.628522     -7.051451      4.396027
  H      -9.652758     -6.267039      5.577560
  H      -8.845155     -2.235446      4.360755
  H      -0.123285     -5.718449      5.011381
  H       0.899272     -4.879300      7.102219
  H      -2.950427     -3.566150      8.468912
  N      -4.846823     -7.933555      5.788529
  H      -4.069746     -8.139097      6.422519
  H      -5.681651     -8.325109      6.233280
  H      -4.963577     -6.915840      5.831793
  N      -6.848512     -4.278643     -0.233212
  N      -7.228786     -3.318969     -0.619979
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.429475269827
  N      -3.141874     -3.859056      1.548903
  C      -3.118481     -4.758842      0.387682
  C      -2.748854     -6.129177      0.874060
  N      -3.650860     -6.493774      1.987464
  C      -4.924642     -7.031913      1.461664
  C      -5.953678     -6.919786      2.552569
  N      -5.907413     -5.538039      3.022747
  Mo     -4.043560     -4.549121      3.280029
  N      -2.670891     -5.595928      4.304896
  C      -1.983265     -6.752076      3.725126
  C      -2.996216     -7.481865      2.878967
  H      -1.618824     -7.411804      4.526437
  H      -1.106451     -6.437089      3.131791
  H      -3.754064     -7.915363      3.547641
  H      -2.537708     -8.280357      2.272011
  H      -6.954122     -7.148091      2.152661
  H      -5.743707     -7.641750      3.363701
  H      -5.231817     -6.420001      0.604453
  H      -4.774493     -8.072358      1.128591
  H      -2.364797     -4.421227     -0.338198
  H      -4.096055     -4.766539     -0.126484
  H      -1.718175     -6.111702      1.248129
  H      -2.817132     -6.886513      0.075238
  C      -2.891297     -2.534893      1.238393
  C      -3.046729     -2.071282     -0.097037
  C      -2.748957     -0.773862     -0.468279
  C      -2.266968      0.104903      0.506261
  F      -1.983583      1.383607      0.147438
  C      -2.113885     -0.274564      1.817242
  C      -2.439893     -1.590541      2.223442
  C      -2.424070     -1.949693      3.612516
  O      -3.200699     -2.916671      4.040846
  C      -1.652454     -1.285921      4.634289
  F      -2.102464     -1.607404      5.887537
  S      -0.342979     -0.300570      4.517580
  C      -7.049189     -5.093501      3.664018
  C      -7.899797     -5.996303      4.342433
  C      -9.032515     -5.565979      5.018023
  C      -9.341169     -4.205611      5.016581
  F     -10.429845     -3.782590      5.703897
  C      -8.568895     -3.284332      4.340204
  C      -7.421069     -3.710054      3.644909
  C      -6.608914     -2.771279      2.895367
  O      -5.398350     -3.024235      2.603138
  C      -7.125270     -1.501969      2.347050
  F      -6.108933     -0.638066      2.089247
  S      -8.649704     -1.099589      1.934025
  C      -2.138582     -5.136839      5.519403
  C      -0.756712     -5.272966      5.760297
  C      -0.164363     -4.796767      6.924486
  C      -0.977445     -4.184132      7.872367
  F      -0.412352     -3.692361      9.002177
  C      -2.341105     -4.050557      7.695132
  C      -2.952458     -4.528479      6.523362
  C      -4.394411     -4.410185      6.332526
  O      -4.905624     -4.424488      5.135475
  C      -5.353603     -4.357974      7.402415
  F      -6.611323     -4.065565      6.927249
  S      -5.208987     -4.702459      9.009897
  H      -3.459549     -2.731849     -0.855211
  H      -2.903256     -0.427676     -1.490347
  H      -1.772303      0.450068      2.552095
  H      -7.642903     -7.053482      4.380511
  H      -9.663019     -6.266623      5.566121
  H      -8.846302     -2.233120      4.361310
  H      -0.117643     -5.720075      5.001081
  H       0.910409     -4.874279      7.087421
  H      -2.937367     -3.563316      8.462064
  N      -4.834000     -7.907932      5.755993
  H      -4.063083     -8.080030      6.407069
  H      -5.669693     -8.283706      6.212069
  H      -4.952745     -6.890091      5.749223
  N      -6.839760     -4.319870     -0.225680
  N      -7.207194     -3.345888     -0.588695
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.429751354083
  N      -3.145764     -3.860917      1.557348
  C      -3.122841     -4.757220      0.395013
  C      -2.750056     -6.128678      0.878977
  N      -3.653207     -6.492584      1.994600
  C      -4.926051     -7.036353      1.465372
  C      -5.961013     -6.920079      2.552415
  N      -5.914907     -5.538372      3.014146
  Mo     -4.047045     -4.552266      3.282286
  N      -2.669223     -5.595466      4.301626
  C      -1.984797     -6.754246      3.727313
  C      -2.998454     -7.484440      2.885307
  H      -1.619822     -7.417286      4.526164
  H      -1.105518     -6.444722      3.133633
  H      -3.754498     -7.919592      3.554035
  H      -2.544226     -8.283984      2.276427
  H      -6.957681     -7.157022      2.147893
  H      -5.752471     -7.641235      3.365193
  H      -5.229697     -6.429295      0.603343
  H      -4.776205     -8.076863      1.132545
  H      -2.370620     -4.419602     -0.333334
  H      -4.099440     -4.761121     -0.120625
  H      -1.718580     -6.108280      1.251798
  H      -2.817850     -6.888873      0.083574
  C      -2.891343     -2.537742      1.248934
  C      -3.032066     -2.076012     -0.088695
  C      -2.723023     -0.781799     -0.461067
  C      -2.243073      0.095573      0.515564
  F      -1.944814      1.371192      0.154508
  C      -2.106393     -0.281059      1.828683
  C      -2.444127     -1.593328      2.237668
  C      -2.442718     -1.949788      3.627756
  O      -3.225669     -2.917415      4.046994
  C      -1.684217     -1.279427      4.657034
  F      -2.145974     -1.602576      5.903906
  S      -0.359084     -0.314048      4.554244
  C      -7.055868     -5.094588      3.657871
  C      -7.913269     -5.998169      4.328247
  C      -9.044385     -5.569326      5.006795
  C      -9.347389     -4.207983      5.019171
  F     -10.433624     -3.784985      5.711504
  C      -8.571566     -3.284682      4.350104
  C      -7.427648     -3.709563      3.649645
  C      -6.615039     -2.767839      2.903315
  O      -5.408305     -3.021880      2.606011
  C      -7.130355     -1.486927      2.380442
  F      -6.107990     -0.633704      2.107189
  S      -8.653959     -1.084141      1.970801
  C      -2.132261     -5.132934      5.512490
  C      -0.749186     -5.265598      5.750893
  C      -0.153529     -4.783877      6.910708
  C      -0.964336     -4.168328      7.858939
  F      -0.396149     -3.672759      8.986048
  C      -2.328251     -4.036316      7.684585
  C      -2.942978     -4.517935      6.516501
  C      -4.388498     -4.410336      6.333106
  O      -4.905617     -4.460215      5.139410
  C      -5.337732     -4.334130      7.413534
  F      -6.601939     -4.068561      6.940616
  S      -5.169237     -4.632780      9.025049
  H      -3.442616     -2.739205     -0.846745
  H      -2.867308     -0.438347     -1.485562
  H      -1.768595      0.444011      2.565153
  H      -7.661305     -7.057207      4.353069
  H      -9.679595     -6.272460      5.546309
  H      -8.844280     -2.232285      4.380378
  H      -0.114961     -5.717747      4.990360
  H       0.921384     -4.864129      7.071794
  H      -2.921946     -3.545352      8.451659
  N      -4.821281     -7.913886      5.724418
  H      -4.062031     -8.058004      6.396290
  H      -5.657138     -8.279806      6.187816
  H      -4.944028     -6.899112      5.676470
  N      -6.872969     -4.361146     -0.282931
  N      -7.241834     -3.386251     -0.643026
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.429982580138
  N      -3.151000     -3.863077      1.557304
  C      -3.127612     -4.759521      0.394602
  C      -2.754352     -6.131372      0.877418
  N      -3.655053     -6.499998      1.992412
  C      -4.928085     -7.042944      1.464666
  C      -5.963599     -6.921508      2.549939
  N      -5.924223     -5.535524      3.002983
  Mo     -4.044998     -4.558214      3.282821
  N      -2.658534     -5.600261      4.292736
  C      -1.977220     -6.760724      3.718466
  C      -2.995984     -7.490575      2.880291
  H      -1.612107     -7.421618      4.518974
  H      -1.099418     -6.454432      3.121119
  H      -3.749986     -7.926190      3.551193
  H      -2.542233     -8.289816      2.270532
  H      -6.959803     -7.162312      2.146207
  H      -5.754869     -7.636265      3.367917
  H      -5.229834     -6.438233      0.600508
  H      -4.779641     -8.085413      1.137421
  H      -2.374213     -4.422376     -0.332338
  H      -4.104537     -4.763406     -0.120243
  H      -1.722781     -6.110327      1.249487
  H      -2.820748     -6.888973      0.079161
  C      -2.885629     -2.540799      1.254254
  C      -3.012144     -2.074806     -0.083715
  C      -2.692338     -0.781646     -0.450477
  C      -2.217217      0.090759      0.532817
  F      -1.908893      1.365661      0.177952
  C      -2.096163     -0.289085      1.846521
  C      -2.444778     -1.600595      2.249898
  C      -2.462160     -1.954126      3.640741
  O      -3.250132     -2.923567      4.052692
  C      -1.725794     -1.278023      4.679991
  F      -2.219270     -1.584245      5.920037
  S      -0.398065     -0.313391      4.600214
  C      -7.061471     -5.095499      3.651787
  C      -7.918470     -6.002127      4.320656
  C      -9.045277     -5.574185      5.005676
  C      -9.346579     -4.212015      5.026472
  F     -10.428875     -3.792687      5.727317
  C      -8.573190     -3.286376      4.358990
  C      -7.432207     -3.709325      3.650776
  C      -6.620657     -2.767519      2.905576
  O      -5.414035     -3.020447      2.608624
  C      -7.138546     -1.489226      2.374127
  F      -6.118479     -0.633819      2.105458
  S      -8.661126     -1.090675      1.956016
  C      -2.119640     -5.132475      5.501333
  C      -0.735766     -5.259957      5.733617
  C      -0.136097     -4.769872      6.888443
  C      -0.943920     -4.150793      7.836331
  F      -0.372267     -3.645806      8.957214
  C      -2.309456     -4.024570      7.668309
  C      -2.928981     -4.517024      6.507080
  C      -4.376660     -4.424542      6.331281
  O      -4.900114     -4.513653      5.144386
  C      -5.326523     -4.339427      7.412517
  F      -6.593362     -4.100027      6.934617
  S      -5.159079     -4.611677      9.028379
  H      -3.419944     -2.732148     -0.847924
  H      -2.824811     -0.434473     -1.475288
  H      -1.762158      0.433217      2.587322
  H      -7.668398     -7.061471      4.341746
  H      -9.678445     -6.278565      5.546084
  H      -8.843590     -2.233879      4.396760
  H      -0.102501     -5.713484      4.973141
  H       0.939954     -4.844580      7.044543
  H      -2.900581     -3.530198      8.434740
  N      -4.854658     -7.889417      5.735308
  H      -4.101349     -8.004242      6.419370
  H      -5.698362     -8.227061      6.205619
  H      -4.969803     -6.876973      5.636645
  N      -6.884818     -4.384618     -0.291862
  N      -7.246429     -3.394852     -0.616680
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.430043368005
  N      -3.149991     -3.856903      1.540440
  C      -3.131587     -4.756902      0.381968
  C      -2.753943     -6.127976      0.866296
  N      -3.647387     -6.500752      1.984855
  C      -4.922097     -7.052488      1.471719
  C      -5.946798     -6.929018      2.568648
  N      -5.917585     -5.536643      3.009623
  Mo     -4.043402     -4.552964      3.266994
  N      -2.635702     -5.591284      4.273601
  C      -1.950684     -6.745079      3.696504
  C      -2.974012     -7.483164      2.870291
  H      -1.574854     -7.407085      4.491174
  H      -1.081082     -6.434174      3.089191
  H      -3.723193     -7.925600      3.540857
  H      -2.515601     -8.281481      2.262159
  H      -6.944241     -7.180650      2.173949
  H      -5.730432     -7.627616      3.397040
  H      -5.230368     -6.453621      0.606378
  H      -4.776867     -8.097634      1.151635
  H      -2.379021     -4.425991     -0.348836
  H      -4.110008     -4.763639     -0.129117
  H      -1.720558     -6.102909      1.232863
  H      -2.818908     -6.883178      0.065566
  C      -2.875910     -2.536320      1.242813
  C      -2.983983     -2.068662     -0.097354
  C      -2.651641     -0.777796     -0.460535
  C      -2.184525      0.092784      0.527815
  F      -1.863313      1.365360      0.174760
  C      -2.085133     -0.285846      1.843342
  C      -2.443935     -1.595846      2.243746
  C      -2.479624     -1.943388      3.635988
  O      -3.257815     -2.923043      4.041172
  C      -1.778020     -1.248502      4.688535
  F      -2.319575     -1.526587      5.915385
  S      -0.451382     -0.282011      4.639411
  C      -7.054817     -5.102564      3.663342
  C      -7.902871     -6.017063      4.335935
  C      -9.030467     -5.597226      5.023182
  C      -9.342099     -4.238044      5.043390
  F     -10.426211     -3.827463      5.749061
  C      -8.579423     -3.305338      4.374417
  C      -7.437799     -3.717211      3.659813
  C      -6.635184     -2.769243      2.908802
  O      -5.429629     -3.018655      2.600789
  C      -7.161651     -1.494836      2.377523
  F      -6.144415     -0.642813      2.089986
  S      -8.692076     -1.078105      1.998935
  C      -2.103588     -5.132325      5.484431
  C      -0.720071     -5.267355      5.720906
  C      -0.121065     -4.790712      6.880816
  C      -0.926866     -4.178129      7.834712
  F      -0.354565     -3.684881      8.960890
  C      -2.290649     -4.046142      7.665817
  C      -2.910904     -4.526175      6.497692
  C      -4.355010     -4.434834      6.325698
  O      -4.890257     -4.516682      5.147897
  C      -5.301750     -4.359805      7.419334
  F      -6.560045     -4.078503      6.956818
  S      -5.121319     -4.666441      9.024230
  H      -3.387083     -2.720394     -0.868647
  H      -2.769997     -0.428451     -1.486384
  H      -1.759878      0.437135      2.587349
  H      -7.641064     -7.073006      4.359646
  H      -9.656555     -6.304659      5.568016
  H      -8.858337     -2.255613      4.413366
  H      -0.084314     -5.712642      4.957575
  H       0.954896     -4.868324      7.036916
  H      -2.879569     -3.550808      8.432977
  N      -4.994598     -7.834495      5.789475
  H      -4.236044     -7.980135      6.462196
  H      -5.856800     -8.145191      6.243986
  H      -5.095462     -6.819624      5.695365
  N      -6.875258     -4.388077     -0.353510
  N      -7.234108     -3.401971     -0.692609
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.430318610556
  N      -3.154758     -3.864127      1.548055
  C      -3.137661     -4.759286      0.386237
  C      -2.763534     -6.133912      0.865170
  N      -3.657240     -6.505097      1.984692
  C      -4.930906     -7.054071      1.464978
  C      -5.961050     -6.930894      2.555260
  N      -5.931095     -5.539765      2.999925
  Mo     -4.049750     -4.562129      3.266507
  N      -2.636992     -5.593176      4.268093
  C      -1.959042     -6.753546      3.695196
  C      -2.987874     -7.489785      2.872264
  H      -1.585106     -7.415071      4.491114
  H      -1.088312     -6.451095      3.085445
  H      -3.738383     -7.924514      3.547277
  H      -2.537292     -8.292886      2.264759
  H      -6.955788     -7.181002      2.152772
  H      -5.749325     -7.634049      3.381469
  H      -5.234813     -6.452642      0.599428
  H      -4.785774     -8.098145      1.141673
  H      -2.384610     -4.427833     -0.343729
  H      -4.115618     -4.761543     -0.126416
  H      -1.729176     -6.115127      1.228648
  H      -2.835251     -6.886754      0.062904
  C      -2.867706     -2.543596      1.258106
  C      -2.961851     -2.069684     -0.080618
  C      -2.612406     -0.781677     -0.438009
  C      -2.141166      0.079586      0.556631
  F      -1.801327      1.349323      0.210393
  C      -2.057023     -0.304376      1.871485
  C      -2.435431     -1.610673      2.266519
  C      -2.495655     -1.957689      3.657659
  O      -3.288962     -2.931725      4.050158
  C      -1.808425     -1.268244      4.722427
  F      -2.371408     -1.547993      5.939308
  S      -0.464845     -0.324505      4.699259
  C      -7.066697     -5.105679      3.654266
  C      -7.922164     -6.017727      4.320988
  C      -9.047677     -5.595131      5.010218
  C      -9.352827     -4.234519      5.036820
  F     -10.435811     -3.821274      5.742317
  C      -8.584857     -3.303457      4.371654
  C      -7.443554     -3.718657      3.659328
  C      -6.640848     -2.773026      2.908839
  O      -5.438913     -3.023748      2.595585
  C      -7.168727     -1.494641      2.383596
  F      -6.153046     -0.634620      2.114922
  S      -8.698623     -1.081291      2.006038
  C      -2.099025     -5.120410      5.471839
  C      -0.712353     -5.239390      5.699121
  C      -0.107911     -4.738376      6.845653
  C      -0.912175     -4.115183      7.794420
  F      -0.335575     -3.597887      8.907497
  C      -2.278616     -3.998497      7.634797
  C      -2.905053     -4.505350      6.482031
  C      -4.353945     -4.439172      6.321905
  O      -4.894975     -4.555357      5.149418
  C      -5.294409     -4.357129      7.420406
  F      -6.561757     -4.114749      6.956986
  S      -5.098614     -4.619157      9.031161
  H      -3.367443     -2.714726     -0.856154
  H      -2.719943     -0.428871     -1.463805
  H      -1.729557      0.412600      2.620361
  H      -7.668699     -7.075910      4.337361
  H      -9.679049     -6.302297      5.549277
  H      -8.858999     -2.252096      4.412996
  H      -0.080938     -5.691489      4.936201
  H       0.969792     -4.804826      6.994386
  H      -2.865436     -3.497389      8.399824
  N      -4.956289     -7.866742      5.782544
  H      -4.210465     -7.967446      6.476583
  H      -5.814944     -8.166632      6.251919
  H      -5.063901     -6.857223      5.646765
  N      -6.901808     -4.412160     -0.321414
  N      -7.248691     -3.416074     -0.642682
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.430192890918
  N      -3.158209     -3.865906      1.557979
  C      -3.147913     -4.755466      0.391306
  C      -2.775769     -6.132661      0.862824
  N      -3.665905     -6.502999      1.986851
  C      -4.940328     -7.050025      1.463827
  C      -5.974347     -6.929313      2.549327
  N      -5.938542     -5.542368      3.000299
  Mo     -4.055777     -4.566591      3.268907
  N      -2.642771     -5.592882      4.271554
  C      -1.969398     -6.756190      3.697534
  C      -2.998127     -7.490965      2.873782
  H      -1.593825     -7.417255      4.493218
  H      -1.098026     -6.457857      3.086688
  H      -3.748821     -7.923691      3.550767
  H      -2.554297     -8.295060      2.263011
  H      -6.968165     -7.177357      2.143745
  H      -5.762505     -7.642284      3.368597
  H      -5.243853     -6.446477      0.598892
  H      -4.793720     -8.092117      1.134644
  H      -2.398010     -4.421893     -0.341063
  H      -4.127623     -4.750280     -0.118682
  H      -1.739803     -6.117221      1.221950
  H      -2.854703     -6.885933      0.061831
  C      -2.860418     -2.546559      1.270373
  C      -2.943832     -2.072442     -0.068062
  C      -2.579739     -0.788557     -0.425494
  C      -2.102981      0.067867      0.571015
  F      -1.746446      1.333323      0.225908
  C      -2.029451     -0.316513      1.886387
  C      -2.425774     -1.617506      2.281264
  C      -2.504372     -1.961066      3.671528
  O      -3.304460     -2.933033      4.055531
  C      -1.832250     -1.265537      4.742172
  F      -2.448542     -1.489736      5.944296
  S      -0.495624     -0.311903      4.728456
  C      -7.071526     -5.104600      3.656044
  C      -7.927541     -6.011217      4.327540
  C      -9.047619     -5.584642      5.023934
  C      -9.347462     -4.222336      5.051787
  F     -10.423768     -3.803095      5.762604
  C      -8.579437     -3.296351      4.379053
  C      -7.443853     -3.718164      3.662561
  C      -6.644681     -2.778135      2.904088
  O      -5.444415     -3.029962      2.590394
  C      -7.174768     -1.501214      2.377630
  F      -6.155720     -0.658384      2.064363
  S      -8.698677     -1.116301      1.956630
  C      -2.099142     -5.114960      5.470690
  C      -0.711062     -5.228883      5.694656
  C      -0.104326     -4.715652      6.834201
  C      -0.907872     -4.084106      7.778863
  F      -0.328347     -3.554493      8.884475
  C      -2.275424     -3.973421      7.622701
  C      -2.903875     -4.493116      6.478037
  C      -4.356200     -4.435765      6.323521
  O      -4.900721     -4.564657      5.153394
  C      -5.291949     -4.351918      7.424928
  F      -6.568157     -4.152593      6.958785
  S      -5.092020     -4.629147      9.032751
  H      -3.351842     -2.717626     -0.842527
  H      -2.678006     -0.437392     -1.452734
  H      -1.696013      0.396342      2.636812
  H      -7.679156     -7.071180      4.340070
  H      -9.679113     -6.289957      5.565164
  H      -8.849431     -2.243366      4.419522
  H      -0.083383     -5.687982      4.932739
  H       0.973773     -4.780092      6.980702
  H      -2.861238     -3.469691      8.387056
  N      -4.918999     -7.901962      5.746502
  H      -4.173340     -7.996362      6.440446
  H      -5.768172     -8.210749      6.228211
  H      -5.029151     -6.893502      5.607733
  N      -6.927209     -4.420270     -0.306709
  N      -7.275912     -3.422052     -0.618775
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.430530822549
  N      -3.161184     -3.865428      1.551346
  C      -3.151984     -4.755856      0.385490
  C      -2.779585     -6.133286      0.857184
  N      -3.666939     -6.504304      1.982656
  C      -4.941056     -7.055490      1.464270
  C      -5.972970     -6.933492      2.551672
  N      -5.942674     -5.543408      2.996810
  Mo     -4.058292     -4.566385      3.260631
  N      -2.634985     -5.586112      4.260024
  C      -1.961106     -6.748460      3.686818
  C      -2.993267     -7.487268      2.869940
  H      -1.582109     -7.406945      4.483039
  H      -1.092979     -6.450275      3.071143
  H      -3.741075     -7.919031      3.550524
  H      -2.549101     -8.292590      2.260938
  H      -6.966900     -7.185041      2.148186
  H      -5.759271     -7.640156      3.375209
  H      -5.246789     -6.454890      0.598371
  H      -4.793401     -8.098760      1.139309
  H      -2.401570     -4.424174     -0.346961
  H      -4.131992     -4.751609     -0.123653
  H      -1.742622     -6.118724      1.213350
  H      -2.860438     -6.884750      0.054609
  C      -2.853396     -2.547628      1.267410
  C      -2.924948     -2.071550     -0.071435
  C      -2.548156     -0.790603     -0.426035
  C      -2.072114      0.061666      0.574228
  F      -1.703042      1.324360      0.232244
  C      -2.012816     -0.323071      1.890145
  C      -2.421314     -1.621496      2.282430
  C      -2.520462     -1.959541      3.673021
  O      -3.326401     -2.930674      4.049809
  C      -1.871876     -1.256806      4.753214
  F      -2.507436     -1.483492      5.945439
  S      -0.510514     -0.339380      4.771789
  C      -7.073610     -5.109210      3.656460
  C      -7.926286     -6.018644      4.329440
  C      -9.043948     -5.593939      5.030184
  C      -9.345039     -4.231874      5.061672
  F     -10.418777     -3.815755      5.778569
  C      -8.581681     -3.303546      4.387252
  C      -7.448758     -3.722699      3.664132
  C      -6.655372     -2.782157      2.899990
  O      -5.456497     -3.031816      2.579423
  C      -7.191739     -1.507395      2.371218
  F      -6.179168     -0.648973      2.083297
  S      -8.721207     -1.114004      1.977470
  C      -2.094618     -5.109193      5.459935
  C      -0.706927     -5.223834      5.684772
  C      -0.101410     -4.715409      6.827197
  C      -0.906152     -4.089644      7.774625
  F      -0.328158     -3.564373      8.883026
  C      -2.273731     -3.980594      7.618592
  C      -2.900916     -4.495068      6.470468
  C      -4.352505     -4.445030      6.318054
  O      -4.900658     -4.581870      5.151969
  C      -5.286265     -4.364856      7.423217
  F      -6.560476     -4.141821      6.965360
  S      -5.075012     -4.614496      9.033569
  H      -3.333598     -2.711115     -0.849994
  H      -2.636866     -0.437825     -1.453582
  H      -1.681211      0.388101      2.642841
  H      -7.676367     -7.078097      4.341130
  H      -9.671964     -6.300305      5.574125
  H      -8.852873     -2.251280      4.430411
  H      -0.078105     -5.679438      4.921578
  H       0.976730     -4.778515      6.973925
  H      -2.860563     -3.481236      8.384934
  N      -4.933517     -7.866259      5.752683
  H      -4.193495     -7.938802      6.456373
  H      -5.787365     -8.160754      6.235137
  H      -5.045934     -6.861299      5.588253
  N      -6.936435     -4.439066     -0.300775
  N      -7.274842     -3.436669     -0.611088
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.430484312968
  N      -3.161239     -3.861883      1.551747
  C      -3.157094     -4.750899      0.384086
  C      -2.786424     -6.129252      0.853111
  N      -3.670536     -6.501974      1.980645
  C      -4.945276     -7.057033      1.467729
  C      -5.972772     -6.940041      2.560556
  N      -5.941006     -5.551368      3.008823
  Mo     -4.066705     -4.566035      3.257370
  N      -2.642337     -5.583202      4.263216
  C      -1.962928     -6.739345      3.684102
  C      -2.991519     -7.482000      2.867231
  H      -1.576426     -7.396831      4.477537
  H      -1.099226     -6.433204      3.065796
  H      -3.737250     -7.918666      3.546619
  H      -2.543685     -8.284588      2.257341
  H      -6.968963     -7.190634      2.162375
  H      -5.754643     -7.647754      3.382054
  H      -5.256655     -6.456346      0.603957
  H      -4.795025     -8.099538      1.141175
  H      -2.407135     -4.419971     -0.349024
  H      -4.138238     -4.743259     -0.122593
  H      -1.748618     -6.115808      1.207424
  H      -2.869194     -6.879570      0.049705
  C      -2.843696     -2.545528      1.270716
  C      -2.907446     -2.067588     -0.068028
  C      -2.516805     -0.790381     -0.420840
  C      -2.034733      0.056952      0.580868
  F      -1.650515      1.315205      0.239863
  C      -1.984408     -0.328139      1.897048
  C      -2.408254     -1.622370      2.287410
  C      -2.518510     -1.959739      3.677035
  O      -3.322756     -2.931325      4.048735
  C      -1.880047     -1.257835      4.765248
  F      -2.518981     -1.501180      5.952842
  S      -0.501392     -0.368605      4.803249
  C      -7.073315     -5.115477      3.667087
  C      -7.920760     -6.024770      4.345510
  C      -9.040471     -5.600675      5.043618
  C      -9.346695     -4.239455      5.066268
  F     -10.421620     -3.823038      5.780846
  C      -8.587272     -3.312081      4.385664
  C      -7.453226     -3.730983      3.664036
  C      -6.664070     -2.791255      2.892441
  O      -5.463430     -3.038955      2.571513
  C      -7.205276     -1.522931      2.357717
  F      -6.198030     -0.656404      2.072126
  S      -8.742566     -1.120238      2.002522
  C      -2.097625     -5.101615      5.457109
  C      -0.708621     -5.213300      5.678224
  C      -0.099765     -4.689933      6.811812
  C      -0.900856     -4.050773      7.753912
  F      -0.317751     -3.508517      8.851394
  C      -2.269131     -3.945530      7.602353
  C      -2.900021     -4.477730      6.463867
  C      -4.351873     -4.432594      6.318276
  O      -4.908753     -4.553972      5.154985
  C      -5.277896     -4.370506      7.431683
  F      -6.556784     -4.152875      6.986186
  S      -5.059407     -4.684154      9.030106
  H      -3.320596     -2.702685     -0.847857
  H      -2.598774     -0.436307     -1.448514
  H      -1.647639      0.379551      2.650799
  H      -7.664947     -7.082820      4.363864
  H      -9.664817     -6.306177      5.592785
  H      -8.863534     -2.260972      4.421600
  H      -0.081410     -5.674997      4.917368
  H       0.979172     -4.748789      6.954645
  H      -2.853110     -3.435129      8.363478
  N      -4.976569     -7.883416      5.755828
  H      -4.216569     -8.005261      6.431311
  H      -5.827420     -8.200521      6.228686
  H      -5.090109     -6.871606      5.643461
  N      -6.951112     -4.418653     -0.331770
  N      -7.296992     -3.428129     -0.671060
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.430797470287
  N      -3.168891     -3.863321      1.550618
  C      -3.171254     -4.748338      0.379924
  C      -2.803023     -6.130356      0.842700
  N      -3.682116     -6.503713      1.974029
  C      -4.956407     -7.062784      1.464136
  C      -5.982590     -6.946961      2.557936
  N      -5.954335     -5.556826      3.004379
  Mo     -4.076801     -4.571462      3.247650
  N      -2.637858     -5.577113      4.246215
  C      -1.961470     -6.734066      3.666823
  C      -2.996922     -7.480213      2.860355
  H      -1.569026     -7.389179      4.459306
  H      -1.102556     -6.430226      3.040514
  H      -3.738770     -7.913255      3.546561
  H      -2.553558     -8.285719      2.251063
  H      -6.978379     -7.199694      2.159864
  H      -5.762971     -7.652671      3.380388
  H      -5.269873     -6.463004      0.600508
  H      -4.804307     -8.105156      1.138228
  H      -2.421586     -4.419247     -0.353939
  H      -4.153627     -4.735701     -0.124278
  H      -1.762837     -6.122951      1.189804
  H      -2.894293     -6.876440      0.036378
  C      -2.826232     -2.550183      1.281053
  C      -2.863195     -2.063539     -0.056003
  C      -2.437379     -0.794848     -0.398601
  C      -1.947272      0.035900      0.613132
  F      -1.524942      1.284787      0.282474
  C      -1.928473     -0.354044      1.928429
  C      -2.390620     -1.638636      2.308993
  C      -2.545153     -1.968628      3.695715
  O      -3.366608     -2.934198      4.047894
  C      -1.947944     -1.258926      4.802096
  F      -2.663776     -1.447317      5.955959
  S      -0.562555     -0.385022      4.891093
  C      -7.082977     -5.123635      3.668487
  C      -7.929739     -6.033986      4.347324
  C      -9.044608     -5.609779      5.052535
  C      -9.348446     -4.247991      5.081865
  F     -10.418303     -3.832591      5.804736
  C      -8.592498     -3.319758      4.398990
  C      -7.463045     -3.738374      3.669611
  C      -6.682141     -2.800157      2.888584
  O      -5.485545     -3.046294      2.554916
  C      -7.232466     -1.533389      2.355040
  F      -6.228679     -0.669421      2.052821
  S      -8.771202     -1.141892      1.996111
  C      -2.090579     -5.088444      5.434948
  C      -0.699679     -5.189873      5.649457
  C      -0.088314     -4.653991      6.775725
  C      -0.888885     -4.012965      7.717315
  F      -0.303593     -3.457899      8.807141
  C      -2.258852     -3.920157      7.573682
  C      -2.892627     -4.465923      6.443134
  C      -4.346341     -4.444733      6.310352
  O      -4.913472     -4.590178      5.156088
  C      -5.261584     -4.385298      7.434472
  F      -6.544647     -4.163028      7.004715
  S      -5.015596     -4.654336      9.036378
  H      -3.282567     -2.683559     -0.844335
  H      -2.497841     -0.434965     -1.425704
  H      -1.587472      0.343826      2.689522
  H      -7.676568     -7.092603      4.361070
  H      -9.667172     -6.315820      5.603081
  H      -8.867530     -2.268496      4.438686
  H      -0.074412     -5.652478      4.887529
  H       0.991791     -4.703706      6.912966
  H      -2.841970     -3.409229      8.335048
  N      -4.972379     -7.878606      5.761737
  H      -4.217980     -7.964770      6.449247
  H      -5.822519     -8.184610      6.243228
  H      -5.094745     -6.872013      5.614601
  N      -6.993386     -4.448011     -0.313677
  N      -7.323912     -3.451225     -0.649819
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.430994609153
  N      -3.177934     -3.861343      1.551073
  C      -3.194212     -4.739838      0.374992
  C      -2.827207     -6.125780      0.827931
  N      -3.696575     -6.500784      1.966892
  C      -4.970547     -7.066948      1.462367
  C      -5.994574     -6.953737      2.557835
  N      -5.968612     -5.563065      3.001904
  Mo     -4.090373     -4.574525      3.237282
  N      -2.638010     -5.566041      4.230882
  C      -1.961752     -6.721062      3.647999
  C      -3.000760     -7.472817      2.850828
  H      -1.560091     -7.372381      4.439129
  H      -1.108755     -6.415692      3.014214
  H      -3.736119     -7.905937      3.544395
  H      -2.560638     -8.278534      2.239552
  H      -6.990853     -7.209638      2.163022
  H      -5.769454     -7.659636      3.378877
  H      -5.289341     -6.469392      0.598898
  H      -4.813385     -8.108590      1.136679
  H      -2.448536     -4.411328     -0.362897
  H      -4.180682     -4.718769     -0.120963
  H      -1.783514     -6.124031      1.164055
  H      -2.930237     -6.868256      0.019836
  C      -2.804344     -2.554448      1.291947
  C      -2.808990     -2.063077     -0.043841
  C      -2.340287     -0.807456     -0.377767
  C      -1.840237      0.005867      0.643519
  F      -1.370911      1.240304      0.321737
  C      -1.858953     -0.384491      1.958520
  C      -2.368194     -1.654397      2.330671
  C      -2.577836     -1.971126      3.712850
  O      -3.417548     -2.930093      4.041991
  C      -2.033943     -1.247072      4.837791
  F      -2.833376     -1.377956      5.944315
  S      -0.631597     -0.412455      4.996055
  C      -7.091669     -5.130425      3.673661
  C      -7.932397     -6.038918      4.362491
  C      -9.037766     -5.611906      5.080495
  C      -9.339479     -4.249131      5.112355
  F     -10.398889     -3.831740      5.848858
  C      -8.591875     -3.323403      4.417330
  C      -7.471905     -3.745374      3.674928
  C      -6.704782     -2.812839      2.875109
  O      -5.511951     -3.056353      2.529290
  C      -7.269564     -1.553292      2.336563
  F      -6.273885     -0.689069      2.009993
  S      -8.813299     -1.180420      1.982906
  C      -2.087585     -5.071971      5.414871
  C      -0.695628     -5.166711      5.625687
  C      -0.084212     -4.621418      6.747427
  C      -0.885595     -3.979409      7.688065
  F      -0.299512     -3.414700      8.772312
  C      -2.256991     -3.897839      7.549923
  C      -2.890559     -4.453188      6.424349
  C      -4.346063     -4.453570      6.301919
  O      -4.922794     -4.620111      5.156366
  C      -5.249737     -4.398500      7.435883
  F      -6.541907     -4.204876      7.018013
  S      -4.981040     -4.656435      9.035667
  H      -3.235728     -2.669214     -0.839088
  H      -2.374184     -0.445069     -1.405165
  H      -1.511240      0.302997      2.726083
  H      -7.680767     -7.098009      4.374927
  H      -9.654205     -6.316504      5.639734
  H      -8.865703     -2.271742      4.457810
  H      -0.071572     -5.631459      4.864023
  H       0.996480     -4.664666      6.882069
  H      -2.840843     -3.388821      8.312093
  N      -4.950381     -7.865328      5.747065
  H      -4.194437     -7.923638      6.435024
  H      -5.792202     -8.170003      6.243523
  H      -5.081250     -6.863681      5.575498
  N      -7.044050     -4.486417     -0.292769
  N      -7.362538     -3.485735     -0.628851
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.431183858252
  N      -3.186925     -3.857216      1.555015
  C      -3.221218     -4.726225      0.371027
  C      -2.857849     -6.117621      0.810414
  N      -3.716898     -6.496294      1.956948
  C      -4.990408     -7.071553      1.459060
  C      -6.009763     -6.965253      2.559773
  N      -5.983622     -5.575805      3.005556
  Mo     -4.111969     -4.579480      3.226963
  N      -2.649804     -5.557309      4.218826
  C      -1.969229     -6.705782      3.627632
  C      -3.008412     -7.464104      2.836992
  H      -1.555041     -7.354212      4.414779
  H      -1.124001     -6.391838      2.987403
  H      -3.736272     -7.901567      3.535994
  H      -2.568274     -8.267015      2.222185
  H      -7.007981     -7.222358      2.170915
  H      -5.777130     -7.673722      3.376758
  H      -5.317371     -6.474882      0.597851
  H      -4.826210     -8.111319      1.131046
  H      -2.479670     -4.398467     -0.370863
  H      -4.212388     -4.692774     -0.114601
  H      -1.810584     -6.123483      1.135115
  H      -2.973795     -6.854670     -0.000677
  C      -2.775862     -2.558322      1.310908
  C      -2.744598     -2.057296     -0.021091
  C      -2.223069     -0.818800     -0.339892
  C      -1.705845     -0.032108      0.694088
  F      -1.176999      1.181751      0.386387
  C      -1.766656     -0.425657      2.006613
  C      -2.335721     -1.674969      2.363418
  C      -2.604685     -1.980793      3.736701
  O      -3.464822     -2.929375      4.037561
  C      -2.111055     -1.250797      4.882411
  F      -2.987648     -1.330718      5.934640
  S      -0.699444     -0.451677      5.111514
  C      -7.102326     -5.141845      3.683356
  C      -7.935061     -6.048221      4.383821
  C      -9.032017     -5.618142      5.112564
  C      -9.332907     -4.254705      5.143242
  F     -10.382229     -3.834574      5.892017
  C      -8.594795     -3.332108      4.434124
  C      -7.484285     -3.757724      3.679232
  C      -6.732434     -2.831526      2.857252
  O      -5.542463     -3.072043      2.499306
  C      -7.313884     -1.583847      2.308866
  F      -6.328480     -0.721628      1.947343
  S      -8.864787     -1.230406      1.967489
  C      -2.091138     -5.051775      5.392459
  C      -0.696918     -5.134069      5.594284
  C      -0.082633     -4.562778      6.701342
  C      -0.881833     -3.907548      7.635241
  F      -0.290891     -3.315805      8.702187
  C      -2.255329     -3.842163      7.508170
  C      -2.891839     -4.425959      6.398787
  C      -4.349049     -4.453517      6.293374
  O      -4.940461     -4.633565      5.157983
  C      -5.233949     -4.412960      7.442357
  F      -6.535062     -4.224042      7.049383
  S      -4.931911     -4.663909      9.037635
  H      -3.183633     -2.641890     -0.825704
  H      -2.227311     -0.450025     -1.365537
  H      -1.406787      0.244824      2.783828
  H      -7.682290     -7.107162      4.398171
  H      -9.641233     -6.320605      5.682299
  H      -8.868966     -2.280494      4.473121
  H      -0.075393     -5.607158      4.835698
  H       0.999332     -4.594352      6.828925
  H      -2.837682     -3.324661      8.265746
  N      -4.934870     -7.880547      5.735715
  H      -4.165060     -7.937657      6.407797
  H      -5.762510     -8.207582      6.241023
  H      -5.082951     -6.879404      5.576840
  N      -7.110779     -4.512410     -0.284175
  N      -7.422044     -3.517717     -0.643923
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.431359407341
  N      -3.195503     -3.851253      1.555931
  C      -3.249780     -4.711621      0.365829
  C      -2.888129     -6.108099      0.792627
  N      -3.735943     -6.491439      1.946589
  C      -5.008784     -7.077965      1.458333
  C      -6.020632     -6.976561      2.567300
  N      -5.996948     -5.585990      3.010099
  Mo     -4.132108     -4.581774      3.217305
  N      -2.660179     -5.547435      4.204422
  C      -1.972600     -6.687160      3.604531
  C      -3.012348     -7.453465      2.821826
  H      -1.545756     -7.333630      4.386557
  H      -1.136170     -6.361672      2.958352
  H      -3.731319     -7.896415      3.526482
  H      -2.569556     -8.252737      2.204217
  H      -7.021015     -7.237235      2.186476
  H      -5.779413     -7.681877      3.384158
  H      -5.344951     -6.483884      0.599004
  H      -4.838328     -8.116794      1.131010
  H      -2.513808     -4.385967     -0.381952
  H      -4.246591     -4.668167     -0.106757
  H      -1.837165     -6.120940      1.104857
  H      -3.016462     -6.838662     -0.022268
  C      -2.748809     -2.561477      1.327270
  C      -2.682630     -2.050004     -0.000098
  C      -2.111089     -0.829164     -0.300998
  C      -1.578831     -0.070391      0.746420
  F      -0.991934      1.120778      0.454954
  C      -1.680675     -0.466935      2.055174
  C      -2.305896     -1.694563      2.393582
  C      -2.627055     -1.991012      3.756507
  O      -3.508419     -2.926824      4.030450
  C      -2.173561     -1.259451      4.919334
  F      -3.101602     -1.313460      5.928646
  S      -0.760660     -0.483892      5.205342
  C      -7.112631     -5.150886      3.691917
  C      -7.940223     -6.056383      4.399892
  C      -9.032361     -5.623658      5.133668
  C      -9.333898     -4.260203      5.161219
  F     -10.378159     -3.838676      5.916546
  C      -8.602804     -3.339512      4.442922
  C      -7.497305     -3.767028      3.681228
  C      -6.758859     -2.846181      2.840359
  O      -5.571891     -3.083965      2.469750
  C      -7.356424     -1.609579      2.284013
  F      -6.382321     -0.749082      1.890997
  S      -8.916347     -1.263792      1.974283
  C      -2.095136     -5.031646      5.369493
  C      -0.699004     -5.101565      5.562062
  C      -0.082290     -4.507873      6.655903
  C      -0.879128     -3.843260      7.585182
  F      -0.284053     -3.228667      8.636818
  C      -2.254279     -3.792729      7.469480
  C      -2.893722     -4.400981      6.374478
  C      -4.351176     -4.453395      6.285063
  O      -4.955438     -4.646895      5.159125
  C      -5.219125     -4.425394      7.447486
  F      -6.529656     -4.269167      7.073774
  S      -4.889935     -4.681450      9.036654
  H      -3.132066     -2.610231     -0.816039
  H      -2.086707     -0.452622     -1.323540
  H      -1.310830      0.185448      2.843247
  H      -7.685635     -7.114752      4.417567
  H      -9.636896     -6.323953      5.711059
  H      -8.878778     -2.288332      4.479078
  H      -0.078663     -5.579951      4.805890
  H       1.000841     -4.527631      6.776040
  H      -2.835229     -3.267549      8.222715
  N      -4.916861     -7.887541      5.744957
  H      -4.133756     -7.937135      6.402389
  H      -5.730471     -8.235370      6.258377
  H      -5.086461     -6.888285      5.597184
  N      -7.181274     -4.546251     -0.278047
  N      -7.486482     -3.560149     -0.665692
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.431489445330
  N      -3.200884     -3.838405      1.559089
  C      -3.279606     -4.690383      0.363652
  C      -2.915604     -6.089178      0.777448
  N      -3.750576     -6.479919      1.938566
  C      -5.023141     -7.077512      1.460592
  C      -6.026272     -6.981505      2.578761
  N      -6.003283     -5.591029      3.019178
  Mo     -4.149832     -4.577054      3.217311
  N      -2.679832     -5.539420      4.203956
  C      -1.978713     -6.664598      3.589504
  C      -3.010939     -7.438155      2.804809
  H      -1.540561     -7.311608      4.364833
  H      -1.149204     -6.319235      2.944914
  H      -3.720456     -7.894742      3.510190
  H      -2.559707     -8.227103      2.180180
  H      -7.029591     -7.246281      2.209092
  H      -5.773223     -7.685218      3.393716
  H      -5.370294     -6.486259      0.603698
  H      -4.845589     -8.115070      1.133461
  H      -2.554288     -4.364723     -0.394132
  H      -4.284715     -4.638577     -0.089586
  H      -1.861490     -6.104046      1.078952
  H      -3.052526     -6.815556     -0.039705
  C      -2.729349     -2.558103      1.335198
  C      -2.640909     -2.046473      0.008774
  C      -2.038271     -0.838930     -0.284979
  C      -1.497306     -0.093266      0.767292
  F      -0.873215      1.080247      0.481184
  C      -1.623653     -0.485585      2.075084
  C      -2.283220     -1.696994      2.405219
  C      -2.631133     -1.988573      3.761455
  O      -3.525927     -2.913681      4.021021
  C      -2.187723     -1.263005      4.933607
  F      -3.119880     -1.336946      5.937527
  S      -0.777684     -0.489417      5.235446
  C      -7.118857     -5.151676      3.699623
  C      -7.939188     -6.054144      4.419256
  C      -9.028291     -5.617569      5.154934
  C      -9.332819     -4.254439      5.171896
  F     -10.373533     -3.829319      5.930085
  C      -8.608692     -3.338123      4.441433
  C      -7.506654     -3.769477      3.676439
  C      -6.778888     -2.856253      2.817467
  O      -5.590530     -3.090544      2.445708
  C      -7.390658     -1.636907      2.242653
  F      -6.428513     -0.783196      1.807629
  S      -8.958962     -1.301344      1.958629
  C      -2.109452     -5.023197      5.366931
  C      -0.712771     -5.090111      5.555454
  C      -0.095795     -4.490585      6.646186
  C      -0.890405     -3.823730      7.575232
  F      -0.292513     -3.204156      8.622311
  C      -2.266245     -3.777116      7.464218
  C      -2.905938     -4.391714      6.372665
  C      -4.363139     -4.448266      6.286722
  O      -4.972510     -4.633144      5.161257
  C      -5.224350     -4.432899      7.452814
  F      -6.538344     -4.282065      7.087923
  S      -4.888008     -4.701659      9.039484
  H      -3.095984     -2.595410     -0.811761
  H      -1.995496     -0.461901     -1.306800
  H      -1.246621      0.156427      2.868181
  H      -7.679299     -7.111113      4.446113
  H      -9.627321     -6.313928      5.742738
  H      -8.887528     -2.287465      4.470644
  H      -0.091259     -5.569155      4.800874
  H       0.987700     -4.507194      6.764079
  H      -2.847066     -3.250322      8.216320
  N      -4.869201     -7.905553      5.745944
  H      -4.062783     -7.967665      6.372814
  H      -5.658864     -8.294763      6.266522
  H      -5.062837     -6.905757      5.640930
  N      -7.233352     -4.576319     -0.265786
  N      -7.546517     -3.605355     -0.684059
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.431627607937
  N      -3.209704     -3.828571      1.555071
  C      -3.313719     -4.673378      0.356849
  C      -2.945659     -6.076021      0.757933
  N      -3.764649     -6.473303      1.928453
  C      -5.037140     -7.083191      1.464869
  C      -6.029683     -6.988077      2.592886
  N      -6.013155     -5.593913      3.022425
  Mo     -4.163374     -4.574052      3.208774
  N      -2.681195     -5.526431      4.186330
  C      -1.973934     -6.642319      3.562257
  C      -3.007122     -7.424952      2.787246
  H      -1.522531     -7.288801      4.330421
  H      -1.154280     -6.286554      2.910722
  H      -3.706096     -7.888563      3.498309
  H      -2.553729     -8.209474      2.158611
  H      -7.034156     -7.263268      2.234073
  H      -5.764007     -7.682468      3.411638
  H      -5.395307     -6.497916      0.608542
  H      -4.855801     -8.121190      1.141661
  H      -2.600069     -4.350881     -0.412717
  H      -4.326628     -4.615366     -0.077499
  H      -1.887357     -6.093490      1.044209
  H      -3.094160     -6.796927     -0.061977
  C      -2.705266     -2.559394      1.345465
  C      -2.582921     -2.040070      0.023682
  C      -1.939801     -0.849704     -0.252711
  C      -1.394075     -0.126495      0.812349
  F      -0.729432      1.028845      0.542850
  C      -1.557585     -0.519337      2.115695
  C      -2.257499     -1.712715      2.428980
  C      -2.651200     -1.993433      3.775893
  O      -3.565963     -2.906766      4.008602
  C      -2.245604     -1.265239      4.960973
  F      -3.222707     -1.316326      5.922637
  S      -0.835959     -0.517957      5.323502
  C      -7.126140     -5.153709      3.704988
  C      -7.941269     -6.054624      4.433673
  C      -9.025487     -5.615621      5.174164
  C      -9.331398     -4.252662      5.186802
  F     -10.366853     -3.825621      5.951768
  C      -8.615102     -3.338827      4.446327
  C      -7.518208     -3.772133      3.674553
  C      -6.804542     -2.866157      2.796253
  O      -5.618730     -3.097002      2.415769
  C      -7.433556     -1.661167      2.208295
  F      -6.483881     -0.807511      1.747818
  S      -9.008832     -1.329026      1.957237
  C      -2.109472     -5.007813      5.346726
  C      -0.711393     -5.066511      5.529712
  C      -0.093458     -4.461340      6.616444
  C      -0.886867     -3.796241      7.547604
  F      -0.287059     -3.170759      8.590158
  C      -2.263275     -3.757917      7.443402
  C      -2.905186     -4.379770      6.356597
  C      -4.362098     -4.451709      6.279975
  O      -4.977786     -4.653269      5.162010
  C      -5.217610     -4.439871      7.453389
  F      -6.533730     -4.307576      7.093552
  S      -4.871152     -4.700118      9.038273
  H      -3.043041     -2.566646     -0.808287
  H      -1.870823     -0.466853     -1.270975
  H      -1.179077      0.108703      2.918964
  H      -7.678140     -7.110591      4.464870
  H      -9.619550     -6.309012      5.770525
  H      -8.895614     -2.288605      4.472223
  H      -0.089134     -5.541994      4.773589
  H       0.990730     -4.470855      6.729258
  H      -2.843124     -3.231094      8.195897
  N      -4.849146     -7.906582      5.760117
  H      -4.035999     -7.945089      6.380644
  H      -5.627329     -8.305667      6.290954
  H      -5.064934     -6.912081      5.647654
  N      -7.297187     -4.637796     -0.253995
  N      -7.603156     -3.674594     -0.694923
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.431733476687
  N      -3.216958     -3.820463      1.551802
  C      -3.340574     -4.660316      0.352899
  C      -2.967738     -6.065124      0.743983
  N      -3.773782     -6.467495      1.921261
  C      -5.046635     -7.085168      1.469764
  C      -6.029774     -6.991276      2.605633
  N      -6.018810     -5.594255      3.027586
  Mo     -4.172807     -4.569406      3.206056
  N      -2.682874     -5.515557      4.175781
  C      -1.970121     -6.623037      3.543034
  C      -3.003238     -7.413440      2.774787
  H      -1.507662     -7.269339      4.304728
  H      -1.159151     -6.258013      2.885922
  H      -3.694273     -7.880983      3.490877
  H      -2.548140     -8.194866      2.143569
  H      -7.034858     -7.274879      2.255217
  H      -5.753359     -7.677678      3.427385
  H      -5.414670     -6.503630      0.615072
  H      -4.863670     -8.123502      1.148644
  H      -2.638867     -4.339837     -0.427993
  H      -4.360185     -4.600979     -0.065083
  H      -1.906333     -6.084055      1.018491
  H      -3.125055     -6.781531     -0.078266
  C      -2.690357     -2.559644      1.351327
  C      -2.543902     -2.036192      0.032844
  C      -1.876053     -0.857019     -0.231852
  C      -1.329886     -0.146955      0.841517
  F      -0.644341      0.998710      0.583151
  C      -1.516888     -0.540458      2.141466
  C      -2.241051     -1.722241      2.442926
  C      -2.659158     -1.996772      3.784115
  O      -3.588204     -2.900543      4.000707
  C      -2.263465     -1.274346      4.975317
  F      -3.254750     -1.317727      5.922869
  S      -0.854548     -0.536186      5.360423
  C      -7.131693     -5.153904      3.708397
  C      -7.944072     -6.052958      4.442945
  C      -9.027255     -5.612491      5.183670
  C      -9.335097     -4.249872      5.190463
  F     -10.369033     -3.820804      5.956586
  C      -8.622886     -3.338277      4.443535
  C      -7.527249     -3.773194      3.670738
  C      -6.822839     -2.873365      2.779030
  O      -5.637686     -3.100766      2.395396
  C      -7.464413     -1.680799      2.177834
  F      -6.523315     -0.832278      1.691075
  S      -9.043277     -1.353742      1.941113
  C      -2.111996     -4.997719      5.336661
  C      -0.712838     -5.049759      5.515832
  C      -0.094431     -4.447828      6.603810
  C      -0.888436     -3.792543      7.541562
  F      -0.288973     -3.171549      8.586966
  C      -2.264994     -3.759500      7.440793
  C      -2.907678     -4.376977      6.351888
  C      -4.363757     -4.455471      6.279389
  O      -4.981182     -4.660046      5.163308
  C      -5.217875     -4.443387      7.455585
  F      -6.534528     -4.317780      7.096763
  S      -4.867094     -4.689389      9.041228
  H      -3.004269     -2.548091     -0.807906
  H      -1.789228     -0.471351     -1.247696
  H      -1.139001      0.078532      2.952224
  H      -7.677757     -7.107933      4.479380
  H      -9.618730     -6.303271      5.785586
  H      -8.905285     -2.288480      4.464633
  H      -0.089418     -5.517164      4.755632
  H       0.990159     -4.452263      6.712975
  H      -2.845456     -3.240092      8.198097
  N      -4.817243     -7.896271      5.761080
  H      -4.001544     -7.913111      6.379300
  H      -5.584229     -8.307038      6.299663
  H      -5.054246     -6.906366      5.648101
  N      -7.352049     -4.687728     -0.230286
  N      -7.657048     -3.734176     -0.692302
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.431819904653
  N      -3.224135     -3.809845      1.550429
  C      -3.370615     -4.642708      0.350650
  C      -2.991125     -6.049467      0.728944
  N      -3.782256     -6.458238      1.913663
  C      -5.055918     -7.082804      1.474984
  C      -6.030213     -6.990854      2.618163
  N      -6.023541     -5.591864      3.034186
  Mo     -4.182782     -4.561863      3.206035
  N      -2.686274     -5.502887      4.168550
  C      -1.967045     -6.598993      3.524027
  C      -2.998020     -7.398246      2.761310
  H      -1.490235     -7.244728      4.277366
  H      -1.166541     -6.222344      2.860643
  H      -3.680601     -7.870903      3.482178
  H      -2.541307     -8.175674      2.126496
  H      -7.035719     -7.282927      2.276373
  H      -5.742147     -7.671415      3.440872
  H      -5.434843     -6.504718      0.622596
  H      -4.871797     -8.121079      1.154062
  H      -2.685570     -4.322473     -0.444727
  H      -4.398333     -4.582321     -0.046617
  H      -1.926410     -6.068550      0.990741
  H      -3.157544     -6.761540     -0.095265
  C      -2.673892     -2.559188      1.357501
  C      -2.500968     -2.036096      0.041672
  C      -1.810655     -0.868170     -0.213787
  C      -1.268693     -0.166022      0.866776
  F      -0.564725      0.970325      0.617400
  C      -1.479393     -0.557521      2.163652
  C      -2.224381     -1.728631      2.455223
  C      -2.663617     -1.996353      3.791196
  O      -3.605159     -2.891728      3.993504
  C      -2.275179     -1.278744      4.986158
  F      -3.278765     -1.311062      5.921452
  S      -0.865801     -0.550387      5.390827
  C      -7.136822     -5.150341      3.712004
  C      -7.945747     -6.045694      4.454742
  C      -9.027473     -5.603001      5.195948
  C      -9.337408     -4.240503      5.194525
  F     -10.368824     -3.807598      5.961591
  C      -8.629825     -3.332882      4.438332
  C      -7.535862     -3.771034      3.664999
  C      -6.841079     -2.879469      2.757691
  O      -5.655320     -3.103182      2.374148
  C      -7.496669     -1.703540      2.138588
  F      -6.564932     -0.863495      1.618172
  S      -9.078881     -1.385251      1.913185
  C      -2.116697     -4.988406      5.330933
  C      -0.716543     -5.034902      5.507043
  C      -0.097220     -4.438984      6.597420
  C      -0.892045     -3.794738      7.542620
  F      -0.292945     -3.179461      8.591462
  C      -2.268600     -3.766050      7.444334
  C      -2.912359     -4.376842      6.352456
  C      -4.368099     -4.456855      6.281885
  O      -4.985165     -4.659677      5.165616
  C      -5.223454     -4.447653      7.458626
  F      -6.539226     -4.315043      7.098299
  S      -4.873373     -4.688392      9.044655
  H      -2.957387     -2.538376     -0.807030
  H      -1.703423     -0.484559     -1.228456
  H      -1.103818      0.054494      2.980946
  H      -7.675672     -7.099598      4.497798
  H      -9.615634     -6.290268      5.805001
  H      -8.914187     -2.283487      4.452499
  H      -0.092705     -5.493182      4.741559
  H       0.987711     -4.439239      6.702750
  H      -2.849405     -3.254454      8.206759
  N      -4.776601     -7.907179      5.758242
  H      -3.955830     -7.905979      6.370031
  H      -5.526418     -8.339742      6.304290
  H      -5.039891     -6.922535      5.656263
  N      -7.413281     -4.748690     -0.197710
  N      -7.724771     -3.807601     -0.680441
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.431860442911
  N      -3.229489     -3.804473      1.550621
  C      -3.392645     -4.631307      0.349398
  C      -3.008950     -6.039996      0.717454
  N      -3.788771     -6.453322      1.907880
  C      -5.062611     -7.083211      1.478855
  C      -6.031233     -6.992410      2.626951
  N      -6.027322     -5.591937      3.038688
  Mo     -4.190627     -4.558217      3.205563
  N      -2.688435     -5.494462      4.163261
  C      -1.964631     -6.581624      3.509765
  C      -2.994119     -7.387919      2.751881
  H      -1.475598     -7.225381      4.256957
  H      -1.173169     -6.195931      2.840583
  H      -3.670109     -7.863837      3.476890
  H      -2.536089     -8.162895      2.115077
  H      -7.037330     -7.289274      2.291329
  H      -5.735685     -7.669184      3.450067
  H      -5.449388     -6.508036      0.628007
  H      -4.877119     -8.121400      1.158197
  H      -2.720388     -4.310236     -0.456001
  H      -4.426274     -4.569542     -0.031924
  H      -1.941725     -6.060067      0.968912
  H      -3.183207     -6.748380     -0.108291
  C      -2.661264     -2.560980      1.364363
  C      -2.469830     -2.036118      0.051638
  C      -1.761162     -0.877483     -0.195280
  C      -1.219371     -0.184581      0.891541
  F      -0.497080      0.941913      0.650716
  C      -1.447967     -0.575822      2.185313
  C      -2.211701     -1.737175      2.467545
  C      -2.666563     -2.000172      3.799118
  O      -3.617132     -2.888691      3.991313
  C      -2.284718     -1.286686      4.997608
  F      -3.297315     -1.313014      5.924139
  S      -0.874579     -0.567830      5.417210
  C      -7.140865     -5.149491      3.714654
  C      -7.947813     -6.042412      4.462168
  C      -9.028922     -5.597974      5.202978
  C      -9.340270     -4.235501      5.195921
  F     -10.370396     -3.800187      5.962982
  C      -8.635367     -3.330582      4.433948
  C      -7.542165     -3.771042      3.660746
  C      -6.853214     -2.884891      2.743537
  O      -5.666947     -3.106302      2.359618
  C      -7.517594     -1.719331      2.114498
  F      -6.591678     -0.885911      1.572014
  S      -9.101866     -1.405751      1.898385
  C      -2.119218     -4.979449      5.325070
  C      -0.718318     -5.018884      5.498179
  C      -0.098847     -4.421038      6.587318
  C      -0.894873     -3.781969      7.535463
  F      -0.296574     -3.164869      8.583525
  C      -2.271636     -3.760367      7.440260
  C      -2.915406     -4.372515      6.349156
  C      -4.370715     -4.458172      6.282392
  O      -4.989194     -4.660577      5.167167
  C      -5.222980     -4.453593      7.461520
  F      -6.540027     -4.320926      7.105176
  S      -4.867262     -4.697088      9.045643
  H      -2.924727     -2.529059     -0.803181
  H      -1.638631     -0.494548     -1.208458
  H      -1.071474      0.028697      3.007797
  H      -7.675744     -7.095701      4.509743
  H      -9.615022     -6.283001      5.816470
  H      -8.921257     -2.281541      4.443166
  H      -0.094466     -5.472751      4.730048
  H       0.986358     -4.415513      6.689167
  H      -2.853234     -3.252612      8.204782
  N      -4.754915     -7.906934      5.749705
  H      -3.929266     -7.895634      6.355012
  H      -5.491889     -8.357278      6.299078
  H      -5.037249     -6.926359      5.658914
  N      -7.462212     -4.792083     -0.172126
  N      -7.780608     -3.860586     -0.668769
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.431909757562
  N      -3.235640     -3.797381      1.550274
  C      -3.419938     -4.616899      0.347791
  C      -3.029167     -6.027395      0.703216
  N      -3.794120     -6.445825      1.901256
  C      -5.067593     -7.083235      1.484998
  C      -6.029975     -6.992070      2.638515
  N      -6.029952     -5.589171      3.042998
  Mo     -4.198742     -4.550488      3.205361
  N      -2.688975     -5.481135      4.157422
  C      -1.959096     -6.555904      3.492225
  C      -2.986256     -7.372204      2.741333
  H      -1.452959     -7.196145      4.231022
  H      -1.180325     -6.157911      2.815040
  H      -3.653815     -7.852039      3.471727
  H      -2.526061     -8.144535      2.102911
  H      -7.036628     -7.295035      2.310443
  H      -5.725817     -7.663260      3.462972
  H      -5.464010     -6.513474      0.634922
  H      -4.880181     -8.121724      1.166124
  H      -2.766463     -4.293232     -0.471319
  H      -4.461557     -4.554851     -0.010905
  H      -1.958679     -6.047701      0.940740
  H      -3.213359     -6.731930     -0.123599
  C      -2.646983     -2.562468      1.369818
  C      -2.435191     -2.038210      0.059974
  C      -1.707280     -0.890080     -0.179408
  C      -1.166536     -0.204995      0.913165
  F      -0.425235      0.910520      0.680240
  C      -1.414315     -0.593983      2.203859
  C      -2.197107     -1.744854      2.477520
  C      -2.667034     -2.000961      3.805023
  O      -3.626306     -2.882284      3.989614
  C      -2.292684     -1.288969      5.005622
  F      -3.313585     -1.310150      5.924302
  S      -0.883525     -0.575057      5.437329
  C      -7.144791     -5.145504      3.715620
  C      -7.949891     -6.035579      4.468138
  C      -9.031099     -5.589115      5.207269
  C      -9.344300     -4.226825      5.193273
  F     -10.373680     -3.788824      5.959349
  C      -8.641731     -3.324978      4.425430
  C      -7.548735     -3.767910      3.653214
  C      -6.864436     -2.887323      2.726497
  O      -5.677031     -3.106884      2.343542
  C      -7.536877     -1.733257      2.085870
  F      -6.615735     -0.907209      1.522272
  S      -9.122772     -1.422631      1.879274
  C      -2.121333     -4.968131      5.320298
  C      -0.719867     -5.000537      5.491544
  C      -0.101321     -4.405590      6.582661
  C      -0.899614     -3.776463      7.535970
  F      -0.303441     -3.162572      8.586914
  C      -2.276429     -3.761904      7.442438
  C      -2.919140     -4.370651      6.348702
  C      -4.374106     -4.460279      6.283929
  O      -4.993365     -4.655443      5.168174
  C      -5.223497     -4.466018      7.464701
  F      -6.541512     -4.328724      7.113000
  S      -4.863134     -4.729300      9.044408
  H      -2.887316     -2.523130     -0.800703
  H      -1.568308     -0.510262     -1.191616
  H      -1.037338      0.004237      3.030743
  H      -7.675514     -7.088055      4.521532
  H      -9.615184     -6.271730      5.825301
  H      -8.929365     -2.276433      4.429066
  H      -0.095987     -5.446972      4.719045
  H       0.984023     -4.394684      6.681979
  H      -2.859458     -3.261276      8.210627
  N      -4.733114     -7.916052      5.747208
  H      -3.900425     -7.894382      6.342523
  H      -5.452054     -8.391826      6.299075
  H      -5.040014     -6.941306      5.675410
  N      -7.526787     -4.851847     -0.138030
  N      -7.860308     -3.933005     -0.648166
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.431967324891
  N      -3.246329     -3.787216      1.550509
  C      -3.463521     -4.594550      0.345292
  C      -3.062643     -6.008362      0.680515
  N      -3.804451     -6.435587      1.890281
  C      -5.076373     -7.086575      1.492729
  C      -6.029470     -6.994007      2.654160
  N      -6.036427     -5.587204      3.045414
  Mo     -4.211935     -4.541295      3.202170
  N      -2.690031     -5.462351      4.145599
  C      -1.951781     -6.519385      3.463187
  C      -2.975501     -7.349904      2.722701
  H      -1.421217     -7.154044      4.189609
  H      -1.191880     -6.103297      2.775098
  H      -3.629665     -7.837411      3.460283
  H      -2.511708     -8.117113      2.080703
  H      -7.036782     -7.307024      2.338145
  H      -5.712014     -7.655825      3.481181
  H      -5.486813     -6.526668      0.642679
  H      -4.884079     -8.125606      1.178397
  H      -2.837474     -4.265792     -0.492137
  H      -4.516158     -4.530185      0.021145
  H      -1.987373     -6.028943      0.895881
  H      -3.262307     -6.706957     -0.147630
  C      -2.625010     -2.566669      1.381342
  C      -2.380433     -2.041707      0.077478
  C      -1.617427     -0.913584     -0.146649
  C      -1.074210     -0.247424      0.956624
  F      -0.296379      0.845992      0.739384
  C      -1.354276     -0.633027      2.241533
  C      -2.173295     -1.762585      2.499001
  C      -2.673753     -2.005614      3.818187
  O      -3.647515     -2.874803      3.987437
  C      -2.318561     -1.294280      5.024782
  F      -3.361050     -1.301136      5.920295
  S      -0.911330     -0.596923      5.487923
  C      -7.151691     -5.141758      3.715639
  C      -7.952970     -6.028323      4.476285
  C      -9.032660     -5.578699      5.215192
  C      -9.348489     -4.216771      5.192624
  F     -10.375767     -3.775611      5.959364
  C      -8.650472     -3.319122      4.415959
  C      -7.559026     -3.765320      3.643097
  C      -6.882584     -2.892299      2.703235
  O      -5.694353     -3.109375      2.319795
  C      -7.566145     -1.752437      2.050272
  F      -6.653083     -0.936628      1.457481
  S      -9.154760     -1.444748      1.861821
  C      -2.123042     -4.949180      5.307853
  C      -0.720702     -4.968066      5.475007
  C      -0.104661     -4.369435      6.565376
  C      -0.906152     -3.749917      7.522616
  F      -0.312769     -3.132017      8.572595
  C      -2.283252     -3.749064      7.433285
  C      -2.923568     -4.362132      6.340364
  C      -4.378097     -4.465323      6.281411
  O      -5.000762     -4.658595      5.167978
  C      -5.220464     -4.487164      7.466910
  F      -6.540849     -4.346896      7.125585
  S      -4.848746     -4.772870      9.039871
  H      -2.831458     -2.510075     -0.792665
  H      -1.452347     -0.536017     -1.155759
  H      -0.973832     -0.047949      3.076182
  H      -7.675669     -7.079670      4.537104
  H      -9.612962     -6.258133      5.840238
  H      -8.940582     -2.271254      4.412908
  H      -0.096185     -5.406213      4.698268
  H       0.980869     -4.347666      6.660579
  H      -2.868459     -3.254897      8.203992
  N      -4.707564     -7.922793      5.741937
  H      -3.863356     -7.884568      6.319962
  H      -5.399457     -8.431559      6.298872
  H      -5.047036     -6.957687      5.691068
  N      -7.617266     -4.944868     -0.086332
  N      -7.970543     -4.041250     -0.610210
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.432046872200
  N      -3.257142     -3.776611      1.549991
  C      -3.506580     -4.573987      0.344331
  C      -3.091806     -5.989124      0.660396
  N      -3.809408     -6.424473      1.881780
  C      -5.078712     -7.090489      1.504230
  C      -6.023267     -6.991928      2.672369
  N      -6.039875     -5.579785      3.044419
  Mo     -4.220778     -4.526819      3.202017
  N      -2.687100     -5.440748      4.135851
  C      -1.939650     -6.478215      3.435616
  C      -2.959025     -7.324620      2.706479
  H      -1.383226     -7.106304      4.148242
  H      -1.201117     -6.041853      2.736601
  H      -3.599235     -7.820344      3.450955
  H      -2.490120     -8.086494      2.061738
  H      -7.030371     -7.317215      2.368568
  H      -5.692926     -7.639910      3.505191
  H      -5.502706     -6.544707      0.651564
  H      -4.881253     -8.131284      1.199043
  H      -2.912749     -4.237880     -0.512463
  H      -4.570318     -4.511482      0.058858
  H      -2.011889     -6.007322      0.852302
  H      -3.306079     -6.683363     -0.167635
  C      -2.609551     -2.568629      1.386067
  C      -2.340240     -2.047766      0.085504
  C      -1.551510     -0.935870     -0.130386
  C      -1.007093     -0.280697      0.978750
  F      -0.202439      0.794820      0.770895
  C      -1.310167     -0.660139      2.260139
  C      -2.154607     -1.773048      2.508801
  C      -2.671542     -2.004208      3.824123
  O      -3.655483     -2.863541      3.989865
  C      -2.321744     -1.293627      5.032993
  F      -3.367871     -1.303627      5.924686
  S      -0.917855     -0.594561      5.503373
  C      -7.157573     -5.133329      3.709792
  C      -7.957769     -6.017491      4.474658
  C      -9.039802     -5.565989      5.208627
  C      -9.359117     -4.205015      5.177349
  F     -10.388839     -3.762227      5.939825
  C      -8.661795     -3.310144      4.397052
  C      -7.567979     -3.757766      3.628165
  C      -6.892160     -2.888604      2.683876
  O      -5.701463     -3.104722      2.304993
  C      -7.578234     -1.756850      2.021227
  F      -6.666729     -0.949682      1.412951
  S      -9.167266     -1.445322      1.841991
  C      -2.123546     -4.933114      5.301846
  C      -0.720938     -4.940277      5.468325
  C      -0.110166     -4.349358      6.565676
  C      -0.916823     -3.748841      7.530658
  F      -0.328850     -3.138803      8.588168
  C      -2.293808     -3.757938      7.440690
  C      -2.929037     -4.363542      6.340523
  C      -4.383268     -4.474087      6.281192
  O      -5.006116     -4.654465      5.166144
  C      -5.223046     -4.515893      7.467542
  F      -6.543820     -4.366225      7.132849
  S      -4.847276     -4.839355      9.032191
  H      -2.788846     -2.506998     -0.790440
  H      -1.367346     -0.563901     -1.138261
  H      -0.926532     -0.082280      3.098286
  H      -7.677854     -7.067584      4.543341
  H      -9.618967     -6.243478      5.836846
  H      -8.954560     -2.263087      4.387904
  H      -0.094314     -5.363587      4.685089
  H       0.975195     -4.319031      6.660505
  H      -2.882700     -3.276665      8.216737
  N      -4.684202     -7.927973      5.742285
  H      -3.830328     -7.870489      6.304379
  H      -5.346774     -8.471294      6.302034
  H      -5.057311     -6.974689      5.714462
  N      -7.705444     -5.054363     -0.016045
  N      -8.089243     -4.163100     -0.539678
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.432157868187
  N      -3.269527     -3.763288      1.548228
  C      -3.549721     -4.550514      0.341756
  C      -3.123998     -5.967498      0.638642
  N      -3.818574     -6.411187      1.870883
  C      -5.084036     -7.094866      1.512138
  C      -6.019682     -6.990786      2.687162
  N      -6.047819     -5.573529      3.039283
  Mo     -4.234068     -4.511833      3.196045
  N      -2.688705     -5.416319      4.121151
  C      -1.931911     -6.435288      3.404206
  C      -2.946222     -7.297493      2.686434
  H      -1.351871     -7.056732      4.103592
  H      -1.214896     -5.978484      2.696033
  H      -3.571576     -7.802757      3.437233
  H      -2.471777     -8.052732      2.037873
  H      -7.025854     -7.330224      2.396099
  H      -5.675116     -7.623438      3.525908
  H      -5.521389     -6.564619      0.656344
  H      -4.878484     -8.137088      1.217717
  H      -2.983926     -4.207334     -0.530265
  H      -4.621878     -4.488021      0.090749
  H      -2.040114     -5.984334      0.807642
  H      -3.352993     -6.656996     -0.189252
  C      -2.591834     -2.570834      1.392909
  C      -2.290639     -2.054823      0.097359
  C      -1.467970     -0.965189     -0.105394
  C      -0.921142     -0.327590      1.012406
  F      -0.080117      0.722539      0.818787
  C      -1.254615     -0.698687      2.288723
  C      -2.133398     -1.787580      2.524184
  C      -2.677656     -2.002777      3.831714
  O      -3.674869     -2.849094      3.987396
  C      -2.342574     -1.289640      5.044757
  F      -3.403386     -1.292242      5.918330
  S      -0.943501     -0.597126      5.537603
  C      -7.166119     -5.126534      3.703190
  C      -7.962975     -6.008754      4.474410
  C      -9.045050     -5.555592      5.207055
  C      -9.367751     -4.195734      5.168899
  F     -10.397548     -3.751619      5.930817
  C      -8.673535     -3.303247      4.383432
  C      -7.579919     -3.751993      3.614709
  C      -6.907949     -2.886704      2.664400
  O      -5.716431     -3.102502      2.286157
  C      -7.597569     -1.763005      1.992711
  F      -6.689453     -0.961838      1.371593
  S      -9.187740     -1.450062      1.821656
  C      -2.126338     -4.913388      5.289165
  C      -0.723342     -4.909271      5.453520
  C      -0.117393     -4.323023      6.555776
  C      -0.927848     -3.738631      7.527306
  F      -0.343586     -3.133604      8.589800
  C      -2.304833     -3.758373      7.438846
  C      -2.935430     -4.359735      6.333632
  C      -4.388828     -4.481572      6.275679
  O      -5.015035     -4.652428      5.161195
  C      -5.223281     -4.543475      7.465180
  F      -6.545627     -4.391759      7.139500
  S      -4.838545     -4.893893      9.021916
  H      -2.737561     -2.500512     -0.786198
  H      -1.259338     -0.597935     -1.110228
  H      -0.866796     -0.132018      3.132576
  H      -7.680078     -7.057431      4.550018
  H      -9.621242     -6.231237      5.840013
  H      -8.968669     -2.256955      4.370107
  H      -0.094468     -5.319168      4.665014
  H       0.967780     -4.283505      6.649817
  H      -2.896669     -3.288349      8.219528
  N      -4.650801     -7.937074      5.749621
  H      -3.788883     -7.853557      6.295844
  H      -5.280880     -8.511558      6.315477
  H      -5.058532     -6.997981      5.739323
  N      -7.791792     -5.165413      0.062214
  N      -8.204184     -4.285575     -0.459038
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.432315068463
  N      -3.284433     -3.746328      1.547622
  C      -3.589707     -4.525772      0.340434
  C      -3.153419     -5.942747      0.620152
  N      -3.827037     -6.396693      1.860949
  C      -5.087272     -7.100753      1.519121
  C      -6.014753     -6.987529      2.699476
  N      -6.059984     -5.564797      3.026237
  Mo     -4.247261     -4.493690      3.189949
  N      -2.690891     -5.391899      4.104333
  C      -1.923997     -6.393713      3.371772
  C      -2.932251     -7.270502      2.663677
  H      -1.323879     -7.009632      4.058549
  H      -1.228979     -5.914716      2.657396
  H      -3.541522     -7.790462      3.417704
  H      -2.450278     -8.015424      2.008612
  H      -7.018007     -7.346716      2.422060
  H      -5.654026     -7.599120      3.546881
  H      -5.535805     -6.591689      0.656244
  H      -4.870337     -8.145299      1.242607
  H      -3.047155     -4.173363     -0.542237
  H      -4.667839     -4.463548      0.118320
  H      -2.066378     -5.955948      0.768762
  H      -3.393644     -6.628306     -0.207655
  C      -2.577615     -2.571186      1.398877
  C      -2.239220     -2.070317      0.106651
  C      -1.383179     -1.004442     -0.085491
  C      -0.839299     -0.378649      1.039168
  F       0.037675      0.644438      0.858305
  C      -1.205066     -0.734021      2.311536
  C      -2.116417     -1.797230      2.537431
  C      -2.685451     -1.994886      3.837871
  O      -3.692026     -2.830688      3.990051
  C      -2.360908     -1.274679      5.052977
  F      -3.430305     -1.275419      5.912926
  S      -0.969668     -0.577137      5.560386
  C      -7.178563     -5.119659      3.690668
  C      -7.972892     -6.002931      4.464830
  C      -9.058546     -5.551595      5.193355
  C      -9.388031     -4.194032      5.149058
  F     -10.423220     -3.752509      5.906190
  C      -8.695002     -3.300792      4.363940
  C      -7.596880     -3.746507      3.599761
  C      -6.922634     -2.878987      2.655005
  O      -5.728568     -3.095055      2.282465
  C      -7.605314     -1.753544      1.980661
  F      -6.695080     -0.952923      1.364406
  S      -9.195442     -1.434980      1.806424
  C      -2.127917     -4.896007      5.274567
  C      -0.724547     -4.881073      5.436347
  C      -0.124724     -4.300612      6.544695
  C      -0.938341     -3.732880      7.522839
  F      -0.356838     -3.133524      8.590386
  C      -2.315413     -3.761766      7.436080
  C      -2.940395     -4.358319      6.325094
  C      -4.392765     -4.491823      6.267200
  O      -5.024056     -4.654925      5.154368
  C      -5.223375     -4.574631      7.460048
  F      -6.546397     -4.421613      7.142128
  S      -4.831248     -4.945044      9.010513
  H      -2.678755     -2.511069     -0.783004
  H      -1.146262     -0.647057     -1.087635
  H      -0.814535     -0.174700      3.159092
  H      -7.685884     -7.049722      4.546586
  H      -9.632987     -6.227818      5.827361
  H      -8.994533     -2.255758      4.347363
  H      -0.091146     -5.274922      4.643484
  H       0.960120     -4.251363      6.639347
  H      -2.909939     -3.302590      8.221082
  N      -4.619264     -7.945003      5.762579
  H      -3.749292     -7.832908      6.290376
  H      -5.215906     -8.545560      6.337170
  H      -5.057736     -7.020177      5.767125
  N      -7.877751     -5.289284      0.164070
  N      -8.329687     -4.406885     -0.318673
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.432428842361
  N      -3.295237     -3.730741      1.544583
  C      -3.634035     -4.499230      0.338361
  C      -3.188651     -5.918472      0.597664
  N      -3.838171     -6.381789      1.848552
  C      -5.094247     -7.102773      1.525764
  C      -6.010938     -6.986034      2.714418
  N      -6.069205     -5.559442      3.021852
  Mo     -4.261656     -4.478654      3.181542
  N      -2.695538     -5.367956      4.088305
  C      -1.920117     -6.352680      3.340570
  C      -2.922057     -7.243147      2.640368
  H      -1.300821     -6.962710      4.015323
  H      -1.244474     -5.855603      2.620132
  H      -3.516145     -7.773861      3.399045
  H      -2.434887     -7.979722      1.979687
  H      -7.012239     -7.361162      2.451599
  H      -5.633539     -7.581247      3.566220
  H      -5.556587     -6.608160      0.661710
  H      -4.868793     -8.147915      1.258761
  H      -3.119631     -4.141492     -0.557930
  H      -4.718401     -4.436124      0.150152
  H      -2.098699     -5.930404      0.723851
  H      -3.443790     -6.598596     -0.230068
  C      -2.555196     -2.575121      1.406503
  C      -2.181036     -2.080155      0.121525
  C      -1.291513     -1.039018     -0.053496
  C      -0.749848     -0.430981      1.081507
  F       0.159785      0.566392      0.918426
  C      -1.149061     -0.776502      2.346526
  C      -2.093880     -1.813495      2.555290
  C      -2.692928     -1.993933      3.845330
  O      -3.713464     -2.815115      3.983795
  C      -2.383794     -1.270414      5.063418
  F      -3.468118     -1.261662      5.903774
  S      -0.998229     -0.579597      5.595161
  C      -7.187332     -5.114293      3.686249
  C      -7.975985     -5.995231      4.469356
  C      -9.061244     -5.543064      5.197644
  C      -9.396057     -4.187082      5.144810
  F     -10.430741     -3.744344      5.902148
  C      -8.708539     -3.296426      4.352151
  C      -7.611033     -3.743035      3.587378
  C      -6.942544     -2.880125      2.634836
  O      -5.747129     -3.094278      2.263870
  C      -7.630050     -1.764424      1.950146
  F      -6.724432     -0.970035      1.319540
  S      -9.221632     -1.446475      1.782251
  C      -2.133026     -4.876340      5.259919
  C      -0.729328     -4.852280      5.419792
  C      -0.132810     -4.275684      6.531730
  C      -0.948804     -3.721318      7.515602
  F      -0.369501     -3.126263      8.586777
  C      -2.325669     -3.758923      7.430627
  C      -2.947435     -4.351641      6.315694
  C      -4.398306     -4.495293      6.259476
  O      -5.033438     -4.652752      5.148208
  C      -5.224127     -4.594135      7.455528
  F      -6.548702     -4.443939      7.144399
  S      -4.823389     -4.980389      8.999755
  H      -2.616169     -2.505409     -0.777336
  H      -1.026955     -0.687070     -1.050643
  H      -0.758408     -0.229153      3.201876
  H      -7.683895     -7.039935      4.558968
  H      -9.630877     -6.216866      5.838528
  H      -9.011642     -2.252607      4.329995
  H      -0.093422     -5.234680      4.623363
  H       0.951747     -4.218538      6.625488
  H      -2.922276     -3.309162      8.219494
  N      -4.578207     -7.952108      5.766142
  H      -3.701447     -7.812795      6.275887
  H      -5.139371     -8.579349      6.347863
  H      -5.050660     -7.044474      5.788917
  N      -7.965586     -5.398250      0.235320
  N      -8.446520     -4.527725     -0.240963
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.432419274707
  N      -3.294927     -3.714329      1.537443
  C      -3.647342     -4.481636      0.333003
  C      -3.207049     -5.901607      0.586932
  N      -3.850981     -6.371408      1.838419
  C      -5.108499     -7.097445      1.521141
  C      -6.013357     -6.986122      2.717965
  N      -6.086038     -5.559751      3.017340
  Mo     -4.275934     -4.469063      3.165392
  N      -2.710188     -5.357524      4.071016
  C      -1.930787     -6.349526      3.330339
  C      -2.928548     -7.236378      2.621133
  H      -1.325465     -6.964803      4.012502
  H      -1.245616     -5.855404      2.617495
  H      -3.517619     -7.778655      3.375177
  H      -2.438699     -7.963580      1.952206
  H      -7.010219     -7.380217      2.466350
  H      -5.616874     -7.569090      3.569905
  H      -5.576220     -6.604554      0.659072
  H      -4.878435     -8.142786      1.258893
  H      -3.133347     -4.129238     -0.564964
  H      -4.731432     -4.412587      0.144981
  H      -2.117442     -5.915099      0.713239
  H      -3.465175     -6.577675     -0.243364
  C      -2.523118     -2.579255      1.412141
  C      -2.105959     -2.097178      0.134382
  C      -1.199930     -1.067987     -0.024524
  C      -0.685081     -0.455391      1.119149
  F       0.226588      0.542929      0.970550
  C      -1.119285     -0.788923      2.375832
  C      -2.077352     -1.815721      2.569389
  C      -2.706140     -1.986049      3.846764
  O      -3.731844     -2.799450      3.971746
  C      -2.408437     -1.254184      5.062576
  F      -3.500926     -1.240342      5.890289
  S      -1.031320     -0.557806      5.614056
  C      -7.197551     -5.118765      3.692369
  C      -7.973188     -5.999175      4.489133
  C      -9.057724     -5.552541      5.221924
  C      -9.404775     -4.199695      5.160451
  F     -10.439166     -3.759399      5.919849
  C      -8.728862     -3.308111      4.358384
  C      -7.631903     -3.751232      3.590849
  C      -6.967927     -2.886855      2.638117
  O      -5.769087     -3.096317      2.274480
  C      -7.651326     -1.771621      1.949175
  F      -6.745302     -0.972062      1.329304
  S      -9.243360     -1.460518      1.760137
  C      -2.144486     -4.867678      5.241132
  C      -0.740060     -4.848629      5.399984
  C      -0.140494     -4.271118      6.509869
  C      -0.953332     -3.713112      7.494950
  F      -0.369214     -3.118132      8.563683
  C      -2.329963     -3.747085      7.412978
  C      -2.954411     -4.338941      6.298984
  C      -4.402222     -4.483903      6.244740
  O      -5.043915     -4.649183      5.137600
  C      -5.228389     -4.576928      7.445537
  F      -6.553934     -4.450324      7.128586
  S      -4.824570     -4.926247      8.996921
  H      -2.521060     -2.519634     -0.774316
  H      -0.902283     -0.723656     -1.015015
  H      -0.749785     -0.239756      3.239647
  H      -7.669803     -7.040418      4.584707
  H      -9.617643     -6.224969      5.872606
  H      -9.038858     -2.266671      4.330512
  H      -0.098763     -5.231714      4.608170
  H       0.944082     -4.214566      6.603458
  H      -2.925230     -3.295702      8.202005
  N      -4.528060     -7.961118      5.765731
  H      -3.648894     -7.799037      6.264502
  H      -5.067948     -8.596414      6.359429
  H      -5.022780     -7.064892      5.804686
  N      -8.047650     -5.448976      0.214708
  N      -8.557247     -4.570473     -0.214929
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.432712165873
  N      -3.309543     -3.701900      1.540666
  C      -3.689615     -4.455004      0.336754
  C      -3.237020     -5.877535      0.568331
  N      -3.856986     -6.356161      1.829300
  C      -5.109712     -7.094841      1.529722
  C      -6.008547     -6.980737      2.731518
  N      -6.089768     -5.551434      3.017934
  Mo     -4.285298     -4.454268      3.168199
  N      -2.706997     -5.334477      4.061874
  C      -1.921852     -6.303447      3.300862
  C      -2.915220     -7.205791      2.603475
  H      -1.289300     -6.909340      3.966622
  H      -1.261334     -5.790499      2.577558
  H      -3.489636     -7.753687      3.365103
  H      -2.422419     -7.927986      1.931375
  H      -7.004698     -7.382493      2.489377
  H      -5.603186     -7.554464      3.585311
  H      -5.590324     -6.612608      0.668687
  H      -4.874637     -8.139913      1.270606
  H      -3.209550     -4.090172     -0.575155
  H      -4.779607     -4.390083      0.187534
  H      -2.144626     -5.888992      0.671444
  H      -3.509941     -6.547908     -0.261639
  C      -2.513632     -2.583805      1.420177
  C      -2.069046     -2.118109      0.146732
  C      -1.136918     -1.111464     -0.004992
  C      -0.622519     -0.505715      1.143304
  F       0.320045      0.464358      1.003832
  C      -1.079681     -0.825091      2.395500
  C      -2.063097     -1.829775      2.581036
  C      -2.704353     -1.986215      3.855398
  O      -3.740305     -2.789220      3.976172
  C      -2.411623     -1.257418      5.074021
  F      -3.510778     -1.238913      5.894763
  S      -1.035422     -0.568614      5.636608
  C      -7.206399     -5.111287      3.684795
  C      -7.985668     -5.991742      4.477849
  C      -9.076472     -5.545551      5.201114
  C      -9.426740     -4.193693      5.133417
  F     -10.467869     -3.754603      5.883856
  C      -8.747443     -3.302786      4.333644
  C      -7.643541     -3.744788      3.575350
  C      -6.977856     -2.882012      2.621799
  O      -5.776335     -3.088595      2.262637
  C      -7.665991     -1.775447      1.925459
  F      -6.762368     -0.984731      1.288158
  S      -9.258522     -1.462888      1.748682
  C      -2.143799     -4.849507      5.235080
  C      -0.739469     -4.816485      5.390858
  C      -0.142868     -4.245121      6.505361
  C      -0.959345     -3.705399      7.497665
  F      -0.379619     -3.115207      8.571185
  C      -2.335754     -3.751713      7.417267
  C      -2.957393     -4.339163      6.299251
  C      -4.405465     -4.492746      6.247190
  O      -5.046875     -4.647242      5.138991
  C      -5.227012     -4.604576      7.447871
  F      -6.553505     -4.463411      7.140570
  S      -4.817840     -4.990684      8.989270
  H      -2.476998     -2.539986     -0.766131
  H      -0.817011     -0.783049     -0.993910
  H      -0.704449     -0.283172      3.261266
  H      -7.681324     -7.032163      4.578321
  H      -9.639025     -6.218254      5.849238
  H      -9.061057     -2.262478      4.299807
  H      -0.099452     -5.185200      4.591200
  H       0.941377     -4.178916      6.596131
  H      -2.933242     -3.312578      8.211449
  N      -4.493718     -7.960414      5.764007
  H      -3.608460     -7.774892      6.243856
  H      -4.995972     -8.624104      6.359660
  H      -5.019624     -7.083547      5.822566
  N      -8.107602     -5.549796      0.323303
  N      -8.642228     -4.681755     -0.097085
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.432985187643
  N      -3.323545     -3.687107      1.543301
  C      -3.721267     -4.427201      0.339047
  C      -3.260891     -5.852005      0.551190
  N      -3.863875     -6.338404      1.818028
  C      -5.113137     -7.084968      1.530959
  C      -6.006552     -6.973788      2.737894
  N      -6.096202     -5.543702      3.020061
  Mo     -4.297143     -4.438743      3.169658
  N      -2.707680     -5.312309      4.051315
  C      -1.919062     -6.264323      3.276336
  C      -2.908480     -7.176967      2.585478
  H      -1.268573     -6.863472      3.930949
  H      -1.273485     -5.740579      2.546782
  H      -3.471870     -7.729318      3.352428
  H      -2.413758     -7.894701      1.910133
  H      -7.001553     -7.382046      2.502413
  H      -5.593051     -7.543806      3.590155
  H      -5.604294     -6.606131      0.673966
  H      -4.875669     -8.128791      1.268581
  H      -3.269569     -4.049391     -0.582462
  H      -4.814726     -4.366960      0.219119
  H      -2.167013     -5.862749      0.639396
  H      -3.544869     -6.516462     -0.279512
  C      -2.498330     -2.590568      1.429104
  C      -2.012656     -2.155712      0.161000
  C      -1.057676     -1.169834      0.016105
  C      -0.559892     -0.554738      1.167698
  F       0.406134      0.392529      1.036711
  C      -1.048291     -0.851533      2.413489
  C      -2.051622     -1.838273      2.591074
  C      -2.705728     -1.981069      3.861726
  O      -3.748283     -2.777329      3.978884
  C      -2.419331     -1.251138      5.079957
  F      -3.521548     -1.236139      5.899554
  S      -1.047583     -0.556747      5.646844
  C      -7.216884     -5.107602      3.682243
  C      -7.995634     -5.989364      4.473887
  C      -9.091310     -5.546013      5.191162
  C      -9.447098     -4.195568      5.118836
  F     -10.493152     -3.759444      5.863584
  C      -8.767782     -3.303659      4.320112
  C      -7.658659     -3.742548      3.567730
  C      -6.992167     -2.879009      2.614301
  O      -5.786773     -3.079665      2.261883
  C      -7.685547     -1.781390      1.911071
  F      -6.783933     -0.995477      1.261737
  S      -9.278457     -1.472042      1.740351
  C      -2.147194     -4.832409      5.228174
  C      -0.743071     -4.787208      5.381063
  C      -0.147362     -4.222103      6.499094
  C      -0.966389     -3.698565      7.498237
  F      -0.390035     -3.112647      8.575582
  C      -2.342415     -3.755302      7.419463
  C      -2.963290     -4.337867      6.298213
  C      -4.411915     -4.496588      6.248401
  O      -5.051860     -4.641853      5.138764
  C      -5.230671     -4.622283      7.447698
  F      -6.557800     -4.469103      7.146770
  S      -4.819660     -5.037403      8.981013
  H      -2.398514     -2.592110     -0.755295
  H      -0.704732     -0.868674     -0.970207
  H      -0.677703     -0.308450      3.280539
  H      -7.687624     -7.028339      4.577848
  H      -9.653654     -6.219911      5.838212
  H      -9.085855     -2.264780      4.282135
  H      -0.104875     -5.142566      4.573932
  H       0.936581     -4.147799      6.586377
  H      -2.941338     -3.326706      8.218305
  N      -4.446218     -7.958204      5.754200
  H      -3.556425     -7.746368      6.214679
  H      -4.906673     -8.649710      6.352152
  H      -5.004008     -7.103676      5.836999
  N      -8.187181     -5.634080      0.403003
  N      -8.751728     -4.772445      0.009396
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.433391879329
  N      -3.337614     -3.668434      1.545653
  C      -3.752861     -4.392882      0.340237
  C      -3.287637     -5.820397      0.530617
  N      -3.875663     -6.316156      1.801797
  C      -5.122928     -7.068048      1.525524
  C      -6.006974     -6.966554      2.740974
  N      -6.106545     -5.537623      3.025608
  Mo     -4.313878     -4.421906      3.167992
  N      -2.713135     -5.289823      4.036343
  C      -1.922885     -6.230061      3.251293
  C      -2.908655     -7.147861      2.561002
  H      -1.262300     -6.826018      3.898928
  H      -1.283421     -5.701430      2.519452
  H      -3.462370     -7.707017      3.330217
  H      -2.412402     -7.859099      1.880044
  H      -7.000675     -7.382235      2.513694
  H      -5.582102     -7.536144      3.587878
  H      -5.626066     -6.586150      0.677065
  H      -4.884698     -8.109301      1.253386
  H      -3.330818     -3.999240     -0.588973
  H      -4.848762     -4.336709      0.247565
  H      -2.192811     -5.831639      0.607205
  H      -3.582475     -6.477151     -0.302068
  C      -2.472159     -2.602811      1.442372
  C      -1.922240     -2.218200      0.185350
  C      -0.941410     -1.256555      0.052160
  C      -0.479907     -0.616134      1.205869
  F       0.507889      0.309383      1.087479
  C      -1.016381     -0.877122      2.439666
  C      -2.040668     -1.844574      2.604730
  C      -2.717168     -1.968744      3.867265
  O      -3.762935     -2.762147      3.977235
  C      -2.446322     -1.231780      5.083121
  F      -3.555920     -1.221896      5.896192
  S      -1.085540     -0.523129      5.659568
  C      -7.229863     -5.109499      3.687864
  C      -8.002825     -5.996029      4.479091
  C      -9.103629     -5.560298      5.192878
  C      -9.470491     -4.212625      5.116855
  F     -10.522091     -3.784060      5.857616
  C      -8.796211     -3.316549      4.318335
  C      -7.681257     -3.747659      3.570369
  C      -7.017713     -2.880677      2.617160
  O      -5.807855     -3.070934      2.271766
  C      -7.720332     -1.794218      1.908408
  F      -6.824581     -1.011552      1.243777
  S      -9.314846     -1.493846      1.745131
  C      -2.152853     -4.812413      5.214655
  C      -0.748710     -4.756756      5.362264
  C      -0.150447     -4.194421      6.480270
  C      -0.969117     -3.681948      7.485873
  F      -0.393123     -3.097085      8.563630
  C      -2.344812     -3.747704      7.411534
  C      -2.968258     -4.328488      6.290387
  C      -4.417147     -4.492227      6.246847
  O      -5.058046     -4.634581      5.138196
  C      -5.230913     -4.625175      7.447319
  F      -6.559361     -4.465077      7.153858
  S      -4.814840     -5.055277      8.974815
  H      -2.266833     -2.684869     -0.732766
  H      -0.537109     -0.997504     -0.926349
  H      -0.662488     -0.325057      3.308092
  H      -7.686347     -7.032404      4.584495
  H      -9.662216     -6.237457      5.839753
  H      -9.122946     -2.280388      4.276559
  H      -0.113505     -5.102077      4.548409
  H       0.933393     -4.113165      6.561557
  H      -2.943285     -3.326415      8.214687
  N      -4.394543     -7.951511      5.733079
  H      -3.498229     -7.713465      6.167576
  H      -4.808626     -8.668875      6.334647
  H      -4.981314     -7.120637      5.847459
  N      -8.267246     -5.697241      0.458398
  N      -8.859029     -4.837654      0.102075
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.433948347013
  N      -3.346591     -3.655790      1.548949
  C      -3.771055     -4.363491      0.339748
  C      -3.306020     -5.793595      0.510709
  N      -3.887328     -6.296586      1.783371
  C      -5.134825     -7.048964      1.512171
  C      -6.009071     -6.961738      2.736585
  N      -6.116193     -5.535771      3.032883
  Mo     -4.330559     -4.409980      3.165232
  N      -2.721783     -5.275683      4.022158
  C      -1.931518     -6.211549      3.233284
  C      -2.914906     -7.127770      2.536673
  H      -1.270569     -6.809212      3.879391
  H      -1.287333     -5.684955      2.503943
  H      -3.463844     -7.693721      3.304238
  H      -2.417221     -7.832749      1.850328
  H      -7.002230     -7.381519      2.514997
  H      -5.575226     -7.536372      3.575451
  H      -5.647968     -6.557385      0.675036
  H      -4.898771     -8.086659      1.224754
  H      -3.373902     -3.948885     -0.591984
  H      -4.868347     -4.311063      0.264089
  H      -2.211018     -5.808037      0.582708
  H      -3.609335     -6.442422     -0.324789
  C      -2.442759     -2.621157      1.457574
  C      -1.817822     -2.305595      0.217601
  C      -0.820088     -1.360279      0.093247
  C      -0.415536     -0.669024      1.239408
  F       0.580655      0.247850      1.129376
  C      -1.006273     -0.883228      2.457354
  C      -2.040278     -1.841575      2.613491
  C      -2.739927     -1.946930      3.866453
  O      -3.779183     -2.749219      3.972315
  C      -2.489932     -1.196010      5.076391
  F      -3.603447     -1.203413      5.886989
  S      -1.147300     -0.454453      5.654665
  C      -7.240481     -5.118944      3.701062
  C      -8.002557     -6.013713      4.492712
  C      -9.104957     -5.588490      5.210517
  C      -9.483501     -4.243689      5.138037
  F     -10.536591     -3.825804      5.882525
  C      -8.818802     -3.339952      4.339810
  C      -7.702396     -3.760185      3.588418
  C      -7.045255     -2.885909      2.636518
  O      -5.832564     -3.064430      2.294456
  C      -7.758060     -1.806309      1.929224
  F      -6.869099     -1.021311      1.255397
  S      -9.354324     -1.516110      1.773077
  C      -2.160222     -4.796480      5.200000
  C      -0.755887     -4.732683      5.340814
  C      -0.152665     -4.167387      6.454700
  C      -0.968855     -3.658372      7.464414
  F      -0.391242     -3.068929      8.538571
  C      -2.344374     -3.731182      7.396344
  C      -2.972717     -4.315446      6.279349
  C      -4.422018     -4.481921      6.244042
  O      -5.064609     -4.625323      5.137193
  C      -5.230725     -4.614188      7.446575
  F      -6.560612     -4.452967      7.158786
  S      -4.809067     -5.044416      8.972237
  H      -2.102057     -2.827819     -0.691053
  H      -0.355784     -1.156222     -0.871571
  H      -0.682143     -0.306810      3.321729
  H      -7.675697     -7.047334      4.594182
  H      -9.656327     -6.271130      5.857832
  H      -9.153979     -2.306319      4.301069
  H      -0.125021     -5.073712      4.521738
  H       0.931273     -4.080906      6.528209
  H      -2.940963     -3.311587      8.202008
  N      -4.364359     -7.946674      5.703626
  H      -3.464500     -7.690008      6.119905
  H      -4.744471     -8.682103      6.305920
  H      -4.967330     -7.132212      5.847651
  N      -8.309251     -5.691722      0.458653
  N      -8.910386     -4.827781      0.129544
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.434493192653
  N      -3.354927     -3.644337      1.554480
  C      -3.794956     -4.332524      0.341545
  C      -3.328615     -5.764854      0.488941
  N      -3.899508     -6.277124      1.763968
  C      -5.146203     -7.032719      1.499135
  C      -6.010323     -6.957511      2.731875
  N      -6.125588     -5.534078      3.037685
  Mo     -4.346906     -4.398277      3.162248
  N      -2.729547     -5.260933      4.006748
  C      -1.938435     -6.189993      3.210646
  C      -2.918758     -7.106416      2.509015
  H      -1.273946     -6.788847      3.852273
  H      -1.294796     -5.660289      2.483059
  H      -3.460849     -7.681606      3.274497
  H      -2.418520     -7.803284      1.816337
  H      -7.002554     -7.382668      2.516413
  H      -5.566767     -7.534445      3.564006
  H      -5.669349     -6.535805      0.671155
  H      -4.909923     -8.067292      1.200891
  H      -3.426165     -3.893241     -0.590802
  H      -4.893840     -4.283726      0.287562
  H      -2.233182     -5.781900      0.552413
  H      -3.642495     -6.405209     -0.348881
  C      -2.412145     -2.643522      1.476496
  C      -1.714689     -2.399263      0.260046
  C      -0.698828     -1.471896      0.145650
  C      -0.349411     -0.729606      1.277930
  F       0.655297      0.178526      1.175698
  C      -0.993837     -0.893869      2.476669
  C      -2.038870     -1.841062      2.624632
  C      -2.766354     -1.923302      3.864801
  O      -3.798666     -2.734848      3.966494
  C      -2.542287     -1.153750      5.067224
  F      -3.662383     -1.176610      5.869580
  S      -1.222013     -0.376082      5.650262
  C      -7.250774     -5.127502      3.711109
  C      -8.003366     -6.030304      4.502279
  C      -9.107555     -5.614996      5.223400
  C      -9.496983     -4.273128      5.154352
  F     -10.552311     -3.865606      5.901435
  C      -8.840872     -3.362112      4.357168
  C      -7.722488     -3.771879      3.603362
  C      -7.071516     -2.890450      2.653704
  O      -5.856642     -3.058836      2.314041
  C      -7.792139     -1.815145      1.949241
  F      -6.909672     -1.028509      1.267415
  S      -9.390057     -1.531616      1.800486
  C      -2.164784     -4.779177      5.182635
  C      -0.760132     -4.706683      5.315436
  C      -0.152772     -4.136888      6.424866
  C      -0.965942     -3.631365      7.438877
  F      -0.385984     -3.036781      8.508859
  C      -2.341318     -3.712480      7.378617
  C      -2.973648     -4.301480      6.266164
  C      -4.422526     -4.474116      6.240304
  O      -5.069770     -4.619042      5.136842
  C      -5.223374     -4.610409      7.447014
  F      -6.555613     -4.453141      7.167893
  S      -4.790595     -5.040389      8.969576
  H      -1.944538     -2.975138     -0.631482
  H      -0.176724     -1.322618     -0.799480
  H      -0.698803     -0.291393      3.333791
  H      -7.667298     -7.061337      4.600063
  H      -9.652641     -6.302943      5.870437
  H      -9.184168     -2.330983      4.321284
  H      -0.132897     -5.043778      4.491948
  H       0.931130     -4.044200      6.490688
  H      -2.935821     -3.295325      8.187287
  N      -4.340855     -7.943871      5.681099
  H      -3.437894     -7.667227      6.077587
  H      -4.686177     -8.696086      6.283634
  H      -4.960012     -7.146764      5.852387
  N      -8.347303     -5.687464      0.470458
  N      -8.954908     -4.819883      0.163539
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.435021111606
  N      -3.356906     -3.645753      1.566869
  C      -3.798529     -4.314299      0.343562
  C      -3.337556     -5.748019      0.471916
  N      -3.908643     -6.266710      1.745845
  C      -5.155630     -7.023837      1.479386
  C      -6.012326     -6.958561      2.717160
  N      -6.131605     -5.538597      3.037356
  Mo     -4.359222     -4.395330      3.161019
  N      -2.738267     -5.257973      3.996211
  C      -1.946684     -6.186794      3.195745
  C      -2.925393     -7.099367      2.486002
  H      -1.284788     -6.791523      3.834609
  H      -1.301757     -5.651979      2.473764
  H      -3.466194     -7.683792      3.245010
  H      -2.420728     -7.789064      1.789306
  H      -7.004164     -7.385913      2.503151
  H      -5.563275     -7.538827      3.544090
  H      -5.682834     -6.523771      0.655547
  H      -4.917312     -8.056112      1.175688
  H      -3.439312     -3.840063     -0.576257
  H      -4.898613     -4.265599      0.291518
  H      -2.242335     -5.771118      0.533784
  H      -3.657755     -6.381691     -0.368481
  C      -2.382636     -2.673286      1.502308
  C      -1.621914     -2.503899      0.311539
  C      -0.599232     -1.582636      0.198647
  C      -0.312304     -0.776575      1.302796
  F       0.684550      0.140492      1.196612
  C      -1.004304     -0.886564      2.482665
  C      -2.047904     -1.833388      2.633807
  C      -2.806352     -1.890683      3.856571
  O      -3.820835     -2.723039      3.959284
  C      -2.617644     -1.089307      5.046007
  F      -3.739975     -1.140246      5.839186
  S      -1.332930     -0.250186      5.623728
  C      -7.255979     -5.141699      3.719675
  C      -7.998292     -6.054484      4.509702
  C      -9.099388     -5.648589      5.241976
  C      -9.494710     -4.308703      5.185997
  F     -10.546987     -3.911453      5.943952
  C      -8.848061     -3.388500      4.391729
  C      -7.733899     -3.787923      3.626446
  C      -7.090421     -2.895565      2.683071
  O      -5.876513     -3.057703      2.339877
  C      -7.810824     -1.810745      1.991793
  F      -6.931211     -1.014556      1.320619
  S      -9.409721     -1.524295      1.845469
  C      -2.165770     -4.769393      5.166420
  C      -0.760262     -4.692118      5.289405
  C      -0.150017     -4.109772      6.391013
  C      -0.958168     -3.598817      7.405545
  F      -0.373206     -2.992763      8.466922
  C      -2.333885     -3.686680      7.356084
  C      -2.968616     -4.287441      6.251784
  C      -4.415798     -4.468829      6.236214
  O      -5.073055     -4.617021      5.138407
  C      -5.205731     -4.609930      7.450382
  F      -6.541492     -4.473129      7.180518
  S      -4.754091     -5.024299      8.972596
  H      -1.803447     -3.141431     -0.549420
  H      -0.026087     -1.484824     -0.723441
  H      -0.744354     -0.244199      3.322184
  H      -7.656289     -7.084228      4.598175
  H      -9.637445     -6.343328      5.887743
  H      -9.195047     -2.358404      4.368500
  H      -0.135155     -5.033083      4.465954
  H       0.933972     -4.012395      6.450157
  H      -2.925313     -3.267139      8.165999
  N      -4.354382     -7.946965      5.668961
  H      -3.452022     -7.660040      6.059441
  H      -4.686862     -8.705945      6.269859
  H      -4.975858     -7.153699      5.853146
  N      -8.359593     -5.612138      0.430171
  N      -8.954791     -4.737177      0.120029
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.435376623393
  N      -3.371987     -3.629166      1.574120
  C      -3.828301     -4.277438      0.344451
  C      -3.365374     -5.714705      0.446849
  N      -3.921784     -6.245209      1.723792
  C      -5.164928     -7.010989      1.466051
  C      -6.012296     -6.954168      2.710758
  N      -6.140731     -5.535565      3.032952
  Mo     -4.376409     -4.380106      3.156513
  N      -2.744500     -5.235062      3.977950
  C      -1.952203     -6.151224      3.164582
  C      -2.927308     -7.069940      2.456620
  H      -1.278539     -6.753799      3.793069
  H      -1.320481     -5.603384      2.440282
  H      -3.460450     -7.661839      3.215230
  H      -2.418684     -7.752935      1.756230
  H      -7.001857     -7.390015      2.503403
  H      -5.551574     -7.530575      3.534186
  H      -5.701728     -6.514170      0.646617
  H      -4.921938     -8.041438      1.159500
  H      -3.487011     -3.780094     -0.570679
  H      -4.928961     -4.231148      0.313512
  H      -2.269294     -5.740952      0.494313
  H      -3.697030     -6.339449     -0.395623
  C      -2.357390     -2.698342      1.529287
  C      -1.543957     -2.588540      0.367550
  C      -0.492548     -1.697892      0.270580
  C      -0.233202     -0.863980      1.360806
  F       0.788203      0.027511      1.268568
  C      -0.969775     -0.925791      2.517495
  C      -2.037816     -1.846733      2.656540
  C      -2.828815     -1.874943      3.860695
  O      -3.844273     -2.706953      3.956853
  C      -2.666722     -1.052030      5.039931
  F      -3.796881     -1.109851      5.820315
  S      -1.404680     -0.180429      5.620768
  C      -7.265231     -5.146411      3.718767
  C      -7.999069     -6.064410      4.510990
  C      -9.100636     -5.666397      5.246675
  C      -9.505091     -4.329168      5.192558
  F     -10.557826     -3.939248      5.953827
  C      -8.866755     -3.404108      4.397181
  C      -7.752111     -3.795535      3.628071
  C      -7.115576     -2.897202      2.685237
  O      -5.899963     -3.051325      2.341593
  C      -7.840786     -1.814545      1.996660
  F      -6.966211     -1.018507      1.319477
  S      -9.440922     -1.525033      1.863586
  C      -2.167151     -4.744716      5.144199
  C      -0.761570     -4.657229      5.259620
  C      -0.151260     -4.068832      6.357986
  C      -0.957790     -3.562595      7.376115
  F      -0.371271     -2.949267      8.432599
  C      -2.333034     -3.662426      7.335223
  C      -2.967660     -4.270584      6.234918
  C      -4.412711     -4.468224      6.229013
  O      -5.078063     -4.618305      5.136294
  C      -5.190626     -4.624917      7.449843
  F      -6.529859     -4.502143      7.192438
  S      -4.718962     -5.041677      8.965260
  H      -1.705695     -3.254453     -0.476290
  H       0.124801     -1.646872     -0.626373
  H      -0.722882     -0.268610      3.349574
  H      -7.650180     -7.091925      4.598284
  H      -9.631967     -6.365268      5.893567
  H      -9.220672     -2.376433      4.375879
  H      -0.137621     -4.994264      4.433650
  H       0.932219     -3.962654      6.411950
  H      -2.923290     -3.247492      8.148171
  N      -4.330985     -7.934742      5.654903
  H      -3.426363     -7.622841      6.020142
  H      -4.621663     -8.710304      6.256125
  H      -4.976105     -7.166278      5.860164
  N      -8.417822     -5.663355      0.478842
  N      -9.030498     -4.793768      0.188220
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.435523031094
  N      -3.382923     -3.631857      1.588294
  C      -3.826941     -4.269526      0.342241
  C      -3.372519     -5.712264      0.435177
  N      -3.932452     -6.246282      1.708572
  C      -5.174259     -7.011485      1.442950
  C      -6.020981     -6.962331      2.686222
  N      -6.142520     -5.546975      3.021863
  Mo     -4.383806     -4.382561      3.156219
  N      -2.750733     -5.235010      3.972795
  C      -1.965405     -6.154423      3.154865
  C      -2.943410     -7.071189      2.447459
  H      -1.293482     -6.762285      3.779638
  H      -1.342429     -5.595155      2.431237
  H      -3.485896     -7.661022      3.200670
  H      -2.430510     -7.756968      1.752809
  H      -7.011283     -7.394224      2.472808
  H      -5.560464     -7.542844      3.507577
  H      -5.705453     -6.516485      0.619766
  H      -4.926961     -8.042352      1.140132
  H      -3.452851     -3.756010     -0.551513
  H      -4.926404     -4.215580      0.294637
  H      -2.276087     -5.751144      0.477184
  H      -3.707931     -6.332740     -0.409321
  C      -2.341372     -2.726757      1.563280
  C      -1.504609     -2.642237      0.415342
  C      -0.438634     -1.767084      0.329026
  C      -0.197458     -0.919762      1.410781
  F       0.833016     -0.035766      1.328357
  C      -0.960494     -0.949811      2.552087
  C      -2.039896     -1.857992      2.686320
  C      -2.864723     -1.861586      3.865827
  O      -3.867482     -2.705654      3.961486
  C      -2.741189     -1.002171      5.027114
  F      -3.873992     -1.077576      5.793631
  S      -1.516957     -0.068717      5.595511
  C      -7.262645     -5.162833      3.716806
  C      -7.988616     -6.087473      4.510050
  C      -9.085076     -5.698320      5.257968
  C      -9.493866     -4.362458      5.215757
  F     -10.542143     -3.979552      5.987449
  C      -8.865091     -3.430724      4.420604
  C      -7.755016     -3.813711      3.639268
  C      -7.129702     -2.903756      2.700946
  O      -5.918005     -3.054945      2.340189
  C      -7.853276     -1.804656      2.035128
  F      -6.983063     -0.998447      1.372409
  S      -9.454985     -1.499960      1.922421
  C      -2.157014     -4.731125      5.121883
  C      -0.750334     -4.645232      5.225861
  C      -0.139972     -4.032654      6.311243
  C      -0.940091     -3.506404      7.323477
  F      -0.344426     -2.868534      8.361090
  C      -2.315745     -3.613077      7.298815
  C      -2.949747     -4.246801      6.213449
  C      -4.389821     -4.470440      6.222757
  O      -5.074227     -4.635073      5.141825
  C      -5.146298     -4.644488      7.458740
  F      -6.491015     -4.574699      7.217427
  S      -4.635025     -5.021394      8.972226
  H      -1.678733     -3.308975     -0.425582
  H       0.200915     -1.734599     -0.553024
  H      -0.726181     -0.275744      3.374235
  H      -7.638846     -7.115359      4.588659
  H      -9.608529     -6.404143      5.903749
  H      -9.223285     -2.404588      4.408695
  H      -0.125489     -5.001178      4.408504
  H       0.943558     -3.923184      6.361811
  H      -2.901169     -3.188974      8.109728
  N      -4.390315     -7.911032      5.666211
  H      -3.483201     -7.604797      6.029283
  H      -4.691293     -8.680616      6.269516
  H      -5.034282     -7.138398      5.857579
  N      -8.387130     -5.603991      0.444790
  N      -8.981412     -4.735250      0.116025
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.435736944606
  N      -3.395478     -3.607283      1.584434
  C      -3.846249     -4.237581      0.339833
  C      -3.391506     -5.681734      0.420807
  N      -3.938644     -6.223389      1.696882
  C      -5.176139     -6.999217      1.444381
  C      -6.016669     -6.952776      2.694350
  N      -6.149531     -5.535751      3.021796
  Mo     -4.397374     -4.362470      3.151783
  N      -2.755938     -5.207489      3.960878
  C      -1.964121     -6.109549      3.130868
  C      -2.935679     -7.036643      2.428910
  H      -1.276668     -6.710056      3.746096
  H      -1.353534     -5.542507      2.403196
  H      -3.464666     -7.630021      3.189076
  H      -2.420896     -7.717835      1.730996
  H      -7.004565     -7.393593      2.489994
  H      -5.546397     -7.526354      3.514627
  H      -5.719862     -6.508069      0.626534
  H      -4.925519     -8.028393      1.138316
  H      -3.484791     -3.724263     -0.559290
  H      -4.945885     -4.186814      0.307371
  H      -2.294899     -5.721404      0.451150
  H      -3.736310     -6.294593     -0.425138
  C      -2.333341     -2.728809      1.567942
  C      -1.485697     -2.664169      0.428654
  C      -0.394479     -1.820024      0.354025
  C      -0.137266     -0.984211      1.442449
  F       0.922150     -0.135025      1.374536
  C      -0.913179     -0.996386      2.575254
  C      -2.020054     -1.872679      2.694810
  C      -2.852190     -1.862469      3.871695
  O      -3.871661     -2.689473      3.960885
  C      -2.722972     -1.009189      5.034927
  F      -3.857062     -1.081652      5.804531
  S      -1.495224     -0.082556      5.607736
  C      -7.271765     -5.154009      3.714604
  C      -7.995215     -6.076892      4.511134
  C      -9.094174     -5.688122      5.255331
  C      -9.507088     -4.353348      5.206231
  F     -10.557092     -3.970106      5.974634
  C      -8.879684     -3.423156      4.407996
  C      -7.768064     -3.806192      3.629488
  C      -7.145746     -2.900911      2.683811
  O      -5.931310     -3.047080      2.327934
  C      -7.879868     -1.821218      1.999805
  F      -7.015065     -1.020695      1.319041
  S      -9.483068     -1.532516      1.883818
  C      -2.167392     -4.714978      5.118815
  C      -0.761502     -4.620319      5.223708
  C      -0.151559     -4.020112      6.315955
  C      -0.954647     -3.512422      7.335806
  F      -0.363270     -2.884914      8.381597
  C      -2.329418     -3.625105      7.308415
  C      -2.963081     -4.246946      6.215530
  C      -4.403531     -4.470085      6.221348
  O      -5.083414     -4.619398      5.135879
  C      -5.161698     -4.656341      7.451827
  F      -6.506773     -4.579051      7.209667
  S      -4.656109     -5.057752      8.960743
  H      -1.666041     -3.325469     -0.415566
  H       0.253696     -1.806045     -0.522227
  H      -0.667682     -0.333571      3.403268
  H      -7.641101     -7.102955      4.595384
  H      -9.615621     -6.392508      5.904228
  H      -9.240755     -2.398078      4.390384
  H      -0.137953     -4.959958      4.398524
  H       0.931321     -3.905016      6.365641
  H      -2.917112     -3.212013      8.123831
  N      -4.314772     -7.896481      5.650522
  H      -3.418211     -7.551193      6.003558
  H      -4.565866     -8.684878      6.252849
  H      -4.990572     -7.157235      5.861713
  N      -8.482243     -5.721007      0.522321
  N      -9.114339     -4.870903      0.216162
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.435768645876
  N      -3.397639     -3.611202      1.579638
  C      -3.837723     -4.239868      0.335048
  C      -3.388885     -5.684848      0.419398
  N      -3.942483     -6.226581      1.692485
  C      -5.182850     -6.994786      1.434094
  C      -6.024905     -6.958695      2.684600
  N      -6.150952     -5.545020      3.030365
  Mo     -4.401006     -4.371647      3.149639
  N      -2.757850     -5.218141      3.957226
  C      -1.969644     -6.127944      3.132826
  C      -2.944851     -7.046774      2.426494
  H      -1.290709     -6.732849      3.753773
  H      -1.344393     -5.575743      2.406605
  H      -3.477261     -7.636870      3.186660
  H      -2.434073     -7.731250      1.728799
  H      -7.016109     -7.389265      2.475065
  H      -5.561789     -7.547512      3.497644
  H      -5.725772     -6.489253      0.624343
  H      -4.938650     -8.021079      1.113489
  H      -3.467563     -3.730373     -0.562287
  H      -4.936620     -4.185803      0.289598
  H      -2.292839     -5.729722      0.452665
  H      -3.735851     -6.293133     -0.428853
  C      -2.333564     -2.732758      1.569878
  C      -1.465791     -2.682104      0.445604
  C      -0.371758     -1.840873      0.380604
  C      -0.129127     -0.995859      1.466251
  F       0.935943     -0.154012      1.409013
  C      -0.921975     -0.999994      2.587092
  C      -2.032575     -1.872444      2.694508
  C      -2.871212     -1.859905      3.868425
  O      -3.880048     -2.700198      3.958533
  C      -2.758538     -0.997805      5.023956
  F      -3.895814     -1.079246      5.793182
  S      -1.546712     -0.047262      5.590705
  C      -7.269539     -5.168279      3.733381
  C      -7.987122     -6.096759      4.527667
  C      -9.080135     -5.712424      5.282787
  C      -9.493182     -4.376839      5.245429
  F     -10.536956     -3.998863      6.024392
  C      -8.872655     -3.441759      4.447596
  C      -7.767214     -3.819977      3.658730
  C      -7.156948     -2.913141      2.706129
  O      -5.946881     -3.055156      2.336890
  C      -7.909590     -1.841739      2.029311
  F      -7.058682     -1.036634      1.333145
  S      -9.515777     -1.573293      1.927651
  C      -2.166882     -4.713987      5.109823
  C      -0.760865     -4.620226      5.210257
  C      -0.144068     -4.005484      6.290563
  C      -0.943596     -3.480243      7.304869
  F      -0.349219     -2.837756      8.339332
  C      -2.318379     -3.591723      7.282627
  C      -2.959352     -4.228704      6.202229
  C      -4.400209     -4.455260      6.219739
  O      -5.079491     -4.628085      5.138843
  C      -5.152265     -4.627342      7.454858
  F      -6.499073     -4.572796      7.215493
  S      -4.639226     -4.987169      8.970747
  H      -1.624237     -3.357727     -0.391097
  H       0.291422     -1.838026     -0.484472
  H      -0.686798     -0.334954      3.416579
  H      -7.631042     -7.123119      4.600880
  H      -9.596884     -6.420333      5.931578
  H      -9.234547     -2.416663      4.437342
  H      -0.142423     -4.972955      4.386765
  H       0.939249     -3.892642      6.333702
  H      -2.903140     -3.165082      8.093584
  N      -4.357913     -7.890828      5.626491
  H      -3.466188     -7.551341      5.997471
  H      -4.631797     -8.673446      6.226597
  H      -5.026335     -7.140757      5.823877
  N      -8.378320     -5.617985      0.464908
  N      -8.972232     -4.753092      0.125246
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.435898122058
  N      -3.407431     -3.593326      1.581735
  C      -3.849408     -4.216962      0.334826
  C      -3.404196     -5.664376      0.411373
  N      -3.947822     -6.211788      1.685730
  C      -5.183730     -6.989344      1.435465
  C      -6.020313     -6.953398      2.689788
  N      -6.153377     -5.538790      3.027817
  Mo     -4.408603     -4.356854      3.150015
  N      -2.760787     -5.198737      3.951894
  C      -1.969394     -6.097120      3.116804
  C      -2.940904     -7.023466      2.415379
  H      -1.279298     -6.698073      3.728948
  H      -1.357414     -5.533702      2.388234
  H      -3.465443     -7.616545      3.178934
  H      -2.428036     -7.705052      1.716397
  H      -7.009369     -7.391851      2.487011
  H      -5.548094     -7.534526      3.503138
  H      -5.734041     -6.491620      0.625748
  H      -4.933762     -8.015373      1.118625
  H      -3.471946     -3.708171     -0.560062
  H      -4.948079     -4.159144      0.291169
  H      -2.308004     -5.713838      0.433296
  H      -3.759746     -6.266999     -0.437495
  C      -2.328003     -2.733959      1.577427
  C      -1.465292     -2.683641      0.449799
  C      -0.349906     -1.869687      0.395212
  C      -0.082308     -1.051261      1.494872
  F       1.007966     -0.241381      1.452624
  C      -0.877739     -1.046586      2.614249
  C      -2.012878     -1.887662      2.708885
  C      -2.862304     -1.858449      3.875119
  O      -3.881913     -2.686314      3.962673
  C      -2.752164     -0.986793      5.024060
  F      -3.886041     -1.071838      5.797089
  S      -1.550423     -0.016230      5.580054
  C      -7.273648     -5.162157      3.727711
  C      -7.991410     -6.089130      4.523474
  C      -9.087108     -5.705015      5.274832
  C      -9.502872     -4.370409      5.231891
  F     -10.549394     -3.991593      6.006614
  C      -8.882328     -3.437024      4.432070
  C      -7.774433     -3.815679      3.646841
  C      -7.166273     -2.911893      2.690666
  O      -5.954120     -3.050012      2.324978
  C      -7.922125     -1.849407      2.004249
  F      -7.074376     -1.045727      1.302904
  S      -9.529655     -1.588819      1.899451
  C      -2.169207     -4.703800      5.108195
  C      -0.763347     -4.606477      5.207853
  C      -0.148060     -3.998519      6.292722
  C      -0.948282     -3.483120      7.311397
  F      -0.354523     -2.845862      8.349487
  C      -2.322789     -3.598058      7.289556
  C      -2.962035     -4.229425      6.205085
  C      -4.402257     -4.459006      6.220550
  O      -5.083346     -4.618598      5.138266
  C      -5.152515     -4.646724      7.454282
  F      -6.499961     -4.596825      7.215678
  S      -4.638268     -5.015691      8.967928
  H      -1.649801     -3.334449     -0.401528
  H       0.309769     -1.867961     -0.472493
  H      -0.628095     -0.396258      3.451322
  H      -7.633643     -7.114594      4.601191
  H      -9.603418     -6.412253      5.924657
  H      -9.246411     -2.412755      4.417082
  H      -0.143934     -4.949337      4.380996
  H       0.934853     -3.882009      6.336546
  H      -2.908255     -3.178306      8.103433
  N      -4.313485     -7.882925      5.630124
  H      -3.433541     -7.512871      6.000438
  H      -4.554761     -8.677716      6.228201
  H      -5.009313     -7.159090      5.830445
  N      -8.466014     -5.706907      0.511787
  N      -9.091496     -4.864151      0.173293
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.435946549859
  N      -3.411957     -3.588075      1.586650
  C      -3.854678     -4.203957      0.335593
  C      -3.413304     -5.653261      0.404379
  N      -3.952989     -6.204687      1.678633
  C      -5.187376     -6.984957      1.429191
  C      -6.020165     -6.953817      2.685511
  N      -6.154814     -5.540865      3.027973
  Mo     -4.414011     -4.352942      3.150853
  N      -2.763057     -5.192749      3.946941
  C      -1.972419     -6.088838      3.108196
  C      -2.943720     -7.015330      2.406042
  H      -1.280795     -6.690921      3.717324
  H      -1.363506     -5.520812      2.380510
  H      -3.467008     -7.611121      3.168352
  H      -2.429947     -7.694895      1.705792
  H      -7.008687     -7.394240      2.483869
  H      -5.543952     -7.535427      3.496280
  H      -5.740481     -6.488075      0.621027
  H      -4.934779     -8.009992      1.111203
  H      -3.471818     -3.688737     -0.553766
  H      -4.953136     -4.142325      0.289732
  H      -2.317097     -5.707545      0.420130
  H      -3.775150     -6.250893     -0.445480
  C      -2.321467     -2.742230      1.589115
  C      -1.449371     -2.707031      0.468391
  C      -0.321749     -1.908850      0.422323
  C      -0.052678     -1.093036      1.522807
  F       1.050357     -0.299780      1.490222
  C      -0.858973     -1.072198      2.634790
  C      -2.007928     -1.894739      2.720401
  C      -2.871615     -1.850343      3.876036
  O      -3.888283     -2.681006      3.964706
  C      -2.776139     -0.961955      5.014178
  F      -3.908065     -1.057506      5.787035
  S      -1.597779      0.045419      5.556112
  C      -7.275377     -5.167465      3.728821
  C      -7.990667     -6.096987      4.524093
  C      -9.086124     -5.715989      5.277570
  C      -9.503911     -4.382099      5.237648
  F     -10.549750     -4.005946      6.014807
  C      -8.886281     -3.446507      4.438100
  C      -7.779165     -3.822298      3.650216
  C      -7.174573     -2.916184      2.694044
  O      -5.962356     -3.050497      2.326846
  C      -7.932290     -1.853637      2.009659
  F      -7.086854     -1.045390      1.312173
  S      -9.540858     -1.596301      1.904875
  C      -2.167637     -4.695970      5.100043
  C      -0.761660     -4.595515      5.195078
  C      -0.145741     -3.981728      6.276392
  C      -0.944207     -3.464453      7.295302
  F      -0.348737     -2.820843      8.328735
  C      -2.318563     -3.583962      7.278841
  C      -2.958088     -4.221844      6.198685
  C      -4.396976     -4.458874      6.219623
  O      -5.083569     -4.618280      5.140298
  C      -5.139997     -4.653666      7.457204
  F      -6.488762     -4.621116      7.223257
  S      -4.615811     -5.010539      8.970642
  H      -1.638465     -3.356357     -0.383259
  H       0.345845     -1.917299     -0.439251
  H      -0.609321     -0.421617      3.471717
  H      -7.631253     -7.122003      4.599567
  H      -9.600509     -6.425275      5.926700
  H      -9.251750     -2.422779      4.425805
  H      -0.142538     -4.939091      4.368270
  H       0.936968     -3.861955      6.317443
  H      -2.902884     -3.163879      8.093224
  N      -4.315175     -7.880748      5.631177
  H      -3.441863     -7.497981      6.004343
  H      -4.546779     -8.679613      6.227409
  H      -5.022808     -7.167793      5.829042
  N      -8.477796     -5.699549      0.512176
  N      -9.105260     -4.863662      0.160640
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.435979331969
  N      -3.412496     -3.587005      1.588292
  C      -3.855937     -4.200453      0.336597
  C      -3.417244     -5.650552      0.403982
  N      -3.954916     -6.203132      1.678337
  C      -5.188967     -6.984060      1.429125
  C      -6.019697     -6.955468      2.686419
  N      -6.154472     -5.543689      3.031784
  Mo     -4.414768     -4.353062      3.153619
  N      -2.762822     -5.193255      3.946203
  C      -1.972889     -6.089415      3.107055
  C      -2.945013     -7.014582      2.403984
  H      -1.282024     -6.692466      3.716026
  H      -1.363173     -5.521019      2.380227
  H      -3.467702     -7.611811      3.165583
  H      -2.432131     -7.693184      1.702190
  H      -7.008189     -7.396441      2.485481
  H      -5.541626     -7.538459      3.495153
  H      -5.743586     -6.486876      0.622271
  H      -4.935450     -8.008466      1.109840
  H      -3.469252     -3.685843     -0.551567
  H      -4.954104     -4.135342      0.287411
  H      -2.321096     -5.707400      0.416768
  H      -3.782918     -6.245717     -0.446050
  C      -2.321545     -2.741203      1.590547
  C      -1.451165     -2.703488      0.468670
  C      -0.318199     -1.912097      0.427340
  C      -0.041232     -1.107773      1.533852
  F       1.069642     -0.325230      1.507723
  C      -0.848342     -1.086236      2.645513
  C      -2.005461     -1.897538      2.723901
  C      -2.873898     -1.846679      3.875728
  O      -3.886839     -2.680777      3.967814
  C      -2.784723     -0.947350      5.005637
  F      -3.910596     -1.053185      5.785792
  S      -1.622948      0.088672      5.530069
  C      -7.275847     -5.171338      3.731532
  C      -7.991350     -6.101360      4.526164
  C      -9.087432     -5.720653      5.278962
  C      -9.505587     -4.386902      5.239083
  F     -10.551860     -4.011192      6.015915
  C      -8.888073     -3.451091      4.439672
  C      -7.780308     -3.826631      3.652554
  C      -7.175916     -2.920600      2.696151
  O      -5.963177     -3.052996      2.330150
  C      -7.934468     -1.859071      2.011163
  F      -7.089792     -1.047977      1.316436
  S      -9.543602     -1.606858      1.902680
  C      -2.165955     -4.695082      5.097951
  C      -0.759988     -4.593618      5.190701
  C      -0.142856     -3.976939      6.269780
  C      -0.940149     -3.458063      7.288683
  F      -0.343831     -2.811575      8.319920
  C      -2.314555     -3.579026      7.274691
  C      -2.955096     -4.219857      6.197131
  C      -4.394056     -4.458197      6.221041
  O      -5.082695     -4.617398      5.142833
  C      -5.134075     -4.655136      7.459966
  F      -6.483468     -4.632196      7.227125
  S      -4.607208     -5.002226      8.974933
  H      -1.645498     -3.344387     -0.388106
  H       0.347632     -1.917309     -0.435624
  H      -0.596430     -0.440804      3.485822
  H      -7.631678     -7.126309      4.601194
  H      -9.602356     -6.430140      5.927457
  H      -9.253706     -2.427409      4.427437
  H      -0.141334     -4.938036      4.363853
  H       0.939847     -3.856436      6.308993
  H      -2.898110     -3.158409      8.089316
  N      -4.322308     -7.885497      5.634632
  H      -3.454925     -7.496042      6.014739
  H      -4.552828     -8.686108      6.228859
  H      -5.036893     -7.177862      5.826602
  N      -8.469326     -5.681541      0.506630
  N      -9.095047     -4.850552      0.140666
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.436013346403
  N      -3.415007     -3.582507      1.591390
  C      -3.860239     -4.189120      0.337672
  C      -3.425452     -5.640839      0.399166
  N      -3.959644     -6.196610      1.673771
  C      -5.193166     -6.978979      1.425818
  C      -6.019519     -6.956888      2.686114
  N      -6.155491     -5.547235      3.037967
  Mo     -4.418559     -4.351068      3.155805
  N      -2.763193     -5.190478      3.940919
  C      -1.974499     -6.084963      3.099573
  C      -2.947454     -7.008661      2.395669
  H      -1.283201     -6.688989      3.707178
  H      -1.364707     -5.515829      2.373257
  H      -3.468016     -7.608463      3.156591
  H      -2.435705     -7.685038      1.690908
  H      -7.007893     -7.398996      2.486973
  H      -5.537654     -7.542896      3.490453
  H      -5.751488     -6.479622      0.622917
  H      -4.938687     -8.001672      1.101701
  H      -3.472456     -3.671474     -0.548490
  H      -4.958079     -4.120261      0.287342
  H      -2.329439     -5.701088      0.407427
  H      -3.796962     -6.231300     -0.451560
  C      -2.317646     -2.745200      1.598070
  C      -1.439732     -2.717482      0.482304
  C      -0.295595     -1.941274      0.451437
  C      -0.014107     -1.145201      1.562619
  F       1.111376     -0.383497      1.549076
  C      -0.830350     -1.112483      2.667695
  C      -2.001721     -1.903813      2.732792
  C      -2.882123     -1.839522      3.875619
  O      -3.890138     -2.678400      3.970092
  C      -2.810114     -0.920065      4.990100
  F      -3.930156     -1.041341      5.777072
  S      -1.679081      0.162300      5.488431
  C      -7.277549     -5.178090      3.737767
  C      -7.991532     -6.110081      4.531579
  C      -9.088367     -5.731364      5.284217
  C      -9.509031     -4.398319      5.244933
  F     -10.556129     -4.025164      6.021858
  C      -8.893490     -3.460984      4.445754
  C      -7.784602     -3.834331      3.659204
  C      -7.182434     -2.927551      2.701963
  O      -5.969202     -3.056388      2.336276
  C      -7.944756     -1.869444      2.016014
  F      -7.103233     -1.055895      1.320415
  S      -9.554909     -1.625272      1.906671
  C      -2.163673     -4.689586      5.090273
  C      -0.757793     -4.585406      5.178435
  C      -0.138148     -3.963999      6.253546
  C      -0.933281     -3.443149      7.273011
  F      -0.335485     -2.791672      8.300294
  C      -2.307623     -3.567549      7.263885
  C      -2.950318     -4.213555      6.190861
  C      -4.388993     -4.456193      6.221135
  O      -5.081447     -4.616541      5.145474
  C      -5.122270     -4.657940      7.462740
  F      -6.472930     -4.649149      7.234267
  S      -4.588231     -4.993976      8.977799
  H      -1.634962     -3.355313     -0.376597
  H       0.376252     -1.953306     -0.406807
  H      -0.577827     -0.471477      3.511257
  H      -7.630086     -7.134529      4.605339
  H      -9.602628     -6.441924      5.932090
  H      -9.261283     -2.438023      4.433614
  H      -0.140910     -4.931326      4.350863
  H       0.944501     -3.841791      6.288786
  H      -2.889614     -3.146570      8.079467
  N      -4.328125     -7.883727      5.633560
  H      -3.468145     -7.481641      6.017207
  H      -4.550243     -8.687780      6.226329
  H      -5.053797     -7.186389      5.821428
  N      -8.463737     -5.656485      0.502017
  N      -9.088152     -4.832574      0.118216
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.436029407058
  N      -3.417479     -3.577478      1.594970
  C      -3.864054     -4.177071      0.338825
  C      -3.433204     -5.630411      0.394080
  N      -3.964560     -6.189242      1.668789
  C      -5.197684     -6.972805      1.421860
  C      -6.019151     -6.958452      2.685696
  N      -6.156322     -5.551386      3.045157
  Mo     -4.421836     -4.348677      3.158951
  N      -2.762943     -5.188480      3.934990
  C      -1.976044     -6.080943      3.090920
  C      -2.950362     -7.002641      2.386489
  H      -1.284054     -6.686244      3.696570
  H      -1.366756     -5.510854      2.364801
  H      -3.469093     -7.604933      3.146519
  H      -2.440197     -7.676780      1.678415
  H      -7.007268     -7.402056      2.488517
  H      -5.532894     -7.548047      3.484850
  H      -5.759753     -6.470752      0.623324
  H      -4.942507     -7.993520      1.091890
  H      -3.476457     -3.655773     -0.545415
  H      -4.961638     -4.104915      0.288284
  H      -2.337326     -5.693390      0.398833
  H      -3.809473     -6.216897     -0.457172
  C      -2.313813     -2.748650      1.606183
  C      -1.427382     -2.731486      0.497429
  C      -0.271669     -1.971726      0.478530
  C       0.014597     -1.185230      1.595202
  F       1.155672     -0.446923      1.595803
  C      -0.812001     -1.139831      2.692428
  C      -1.998972     -1.908265      2.741390
  C      -2.893071     -1.828740      3.873157
  O      -3.892782     -2.675665      3.972611
  C      -2.844284     -0.881310      4.964699
  F      -3.950553     -1.027153      5.767614
  S      -1.759186      0.266757      5.416664
  C      -7.279239     -5.185901      3.744557
  C      -7.991918     -6.120049      4.537239
  C      -9.089414     -5.743401      5.289738
  C      -9.512294     -4.410915      5.251776
  F     -10.559990     -4.040519      6.029209
  C      -8.898567     -3.471757      4.453295
  C      -7.788958     -3.842952      3.666719
  C      -7.188219     -2.935107      2.709328
  O      -5.974150     -3.061283      2.344998
  C      -7.952293     -1.879230      2.021931
  F      -7.111903     -1.063214      1.328042
  S      -9.562908     -1.640097      1.910850
  C      -2.160457     -4.685767      5.082409
  C      -0.754612     -4.580320      5.166339
  C      -0.132083     -3.955211      6.237885
  C      -0.924783     -3.431782      7.257717
  F      -0.325223     -2.775993      8.281345
  C      -2.299229     -3.558167      7.253062
  C      -2.944299     -4.208703      6.184384
  C      -4.382873     -4.454678      6.221127
  O      -5.079451     -4.614743      5.147903
  C      -5.109208     -4.661346      7.465242
  F      -6.461103     -4.665321      7.241572
  S      -4.567663     -4.989041      8.979510
  H      -1.623315     -3.365808     -0.363928
  H       0.406850     -1.991352     -0.374340
  H      -0.558890     -0.504364      3.539957
  H      -7.628809     -7.144063      4.609564
  H      -9.603007     -6.455125      5.936908
  H      -9.268356     -2.449510      4.441908
  H      -0.139874     -4.928512      4.338119
  H       0.950664     -3.832791      6.269375
  H      -2.879310     -3.136925      8.069921
  N      -4.336696     -7.882902      5.634655
  H      -3.483808     -7.466574      6.018682
  H      -4.547042     -8.690527      6.226797
  H      -5.074478     -7.197743      5.819500
  N      -8.456404     -5.627508      0.498768
  N      -9.082266     -4.814238      0.095090
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.436042443666
  N      -3.414673     -3.581484      1.593546
  C      -3.860306     -4.185288      0.338730
  C      -3.427159     -5.637671      0.397845
  N      -3.961684     -6.193974      1.672345
  C      -5.195813     -6.975452      1.424074
  C      -6.019510     -6.958552      2.686541
  N      -6.155471     -5.550647      3.043995
  Mo     -4.418398     -4.351181      3.158741
  N      -2.761783     -5.192734      3.938167
  C      -1.974999     -6.087355      3.096278
  C      -2.949830     -7.008587      2.392031
  H      -1.284484     -6.692779      3.703474
  H      -1.364400     -5.519024      2.369906
  H      -3.470584     -7.608945      3.152221
  H      -2.439826     -7.684274      1.685317
  H      -7.007893     -7.400933      2.488020
  H      -5.535639     -7.547658      3.487496
  H      -5.755508     -6.473029      0.624081
  H      -4.942038     -7.996910      1.095336
  H      -3.474982     -3.665682     -0.547333
  H      -4.958172     -4.115762      0.289330
  H      -2.331182     -5.698144      0.406772
  H      -3.799027     -6.227548     -0.452991
  C      -2.316500     -2.745487      1.601465
  C      -1.433844     -2.722367      0.489471
  C      -0.285859     -1.951630      0.463891
  C      -0.003318     -1.158388      1.576911
  F       1.128797     -0.406482      1.569366
  C      -0.825042     -1.119764      2.677783
  C      -2.003068     -1.901724      2.734652
  C      -2.890531     -1.830676      3.871813
  O      -3.889622     -2.678505      3.971645
  C      -2.835477     -0.891256      4.969910
  F      -3.941619     -1.035994      5.773144
  S      -1.739926      0.243805      5.428441
  C      -7.278177     -5.183491      3.742826
  C      -7.992571     -6.116582      4.535186
  C      -9.090299     -5.738676      5.286695
  C      -9.511803     -4.405782      5.247990
  F     -10.559951     -4.034154      6.024220
  C      -8.896160     -3.467369      4.450113
  C      -7.786196     -3.839786      3.664626
  C      -7.182858     -2.932238      2.708692
  O      -5.968926     -3.061425      2.344955
  C      -7.943304     -1.873202      2.021953
  F      -7.099777     -1.059351      1.329294
  S      -9.552940     -1.627730      1.910807
  C      -2.160537     -4.691232      5.086852
  C      -0.754555     -4.588902      5.173363
  C      -0.132486     -3.966961      6.246973
  C      -0.925844     -3.443622      7.266373
  F      -0.326537     -2.791324      8.292374
  C      -2.300528     -3.566532      7.258918
  C      -2.945287     -4.213654      6.187885
  C      -4.384393     -4.455823      6.221520
  O      -5.078952     -4.615076      5.146803
  C      -5.114583     -4.658627      7.464028
  F      -6.465992     -4.653056      7.238103
  S      -4.577115     -4.993390      8.978152
  H      -1.627048     -3.360435     -0.369699
  H       0.389456     -1.967290     -0.391597
  H      -0.573864     -0.479936      3.522418
  H      -7.630759     -7.140992      4.608337
  H      -9.605063     -6.449714      5.933684
  H      -9.264957     -2.444781      4.438118
  H      -0.139439     -4.937668      4.345676
  H       0.950480     -3.847119      6.280521
  H      -2.880942     -3.145135      8.075455
  N      -4.337434     -7.883460      5.636678
  H      -3.479359     -7.474812      6.017327
  H      -4.552913     -8.688386      6.230667
  H      -5.067913     -7.191294      5.824522
  N      -8.452827     -5.629415      0.496691
  N      -9.078359     -4.812907      0.099099
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.436050280310
  N      -3.414739     -3.580688      1.593253
  C      -3.859024     -4.185655      0.338395
  C      -3.425618     -5.638039      0.398259
  N      -3.961650     -6.194025      1.672249
  C      -5.196143     -6.974561      1.423504
  C      -6.020026     -6.958285      2.686149
  N      -6.155743     -5.550323      3.043843
  Mo     -4.417726     -4.351084      3.158301
  N      -2.761478     -5.193375      3.938122
  C      -1.975193     -6.088516      3.096193
  C      -2.950554     -7.009385      2.392353
  H      -1.284766     -6.694201      3.703205
  H      -1.364701     -5.520769      2.369351
  H      -3.472008     -7.608614      3.152971
  H      -2.440928     -7.685869      1.686139
  H      -7.008507     -7.400218      2.487291
  H      -5.536511     -7.547636      3.487118
  H      -5.755528     -6.471009      0.623964
  H      -4.943119     -7.995897      1.093779
  H      -3.473400     -3.666758     -0.547894
  H      -4.956985     -4.117085      0.289552
  H      -2.329650     -5.697892      0.409077
  H      -3.795386     -6.228827     -0.452846
  C      -2.316711     -2.744639      1.601774
  C      -1.433564     -2.721753      0.490080
  C      -0.285930     -1.950851      0.464017
  C      -0.004106     -1.156340      1.576478
  F       1.127908     -0.404417      1.568613
  C      -0.826409     -1.116998      2.676799
  C      -2.004177     -1.899417      2.734090
  C      -2.891905     -1.829413      3.871360
  O      -3.889654     -2.679012      3.971269
  C      -2.839582     -0.890135      4.969749
  F      -3.943701     -1.040488      5.774829
  S      -1.749454      0.251384      5.424647
  C      -7.278047     -5.182883      3.742891
  C      -7.992988     -6.115847      4.534834
  C      -9.090811     -5.737952      5.286161
  C      -9.512133     -4.404934      5.247451
  F     -10.560546     -4.033265      6.023252
  C      -8.895974     -3.466497      4.450016
  C      -7.785792     -3.838929      3.664855
  C      -7.182212     -2.931778      2.708951
  O      -5.968505     -3.062593      2.344718
  C      -7.941722     -1.872342      2.021814
  F      -7.097477     -1.060754      1.327256
  S      -9.550946     -1.623859      1.912370
  C      -2.160062     -4.692736      5.087181
  C      -0.753957     -4.592181      5.174456
  C      -0.131658     -3.971707      6.248757
  C      -0.924968     -3.447784      7.267942
  F      -0.325287     -2.796881      8.294627
  C      -2.299781     -3.568638      7.259589
  C      -2.944852     -4.214474      6.187890
  C      -4.384029     -4.455651      6.221013
  O      -5.078229     -4.615147      5.146000
  C      -5.114943     -4.656949      7.463200
  F      -6.466312     -4.648092      7.237346
  S      -4.577748     -4.994196      8.976830
  H      -1.626853     -3.360193     -0.368853
  H       0.389800     -1.967533     -0.391123
  H      -0.575461     -0.476063      3.520556
  H      -7.631489     -7.140376      4.608078
  H      -9.605702     -6.448996      5.933029
  H      -9.264815     -2.443923      4.437739
  H      -0.139085     -4.941613      4.346894
  H       0.951460     -3.853507      6.283058
  H      -2.879985     -3.146768      8.076042
  N      -4.334581     -7.880593      5.636146
  H      -3.474447     -7.471901      6.012063
  H      -4.547177     -8.684829      6.232112
  H      -5.063871     -7.188079      5.827293
  N      -8.456713     -5.633229      0.498766
  N      -9.085511     -4.818948      0.101773
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.436057011792
  N      -3.415136     -3.579645      1.593876
  C      -3.858145     -4.184569      0.338386
  C      -3.424967     -5.637176      0.397963
  N      -3.962544     -6.193365      1.671265
  C      -5.197465     -6.972740      1.421627
  C      -6.021060     -6.958622      2.684767
  N      -6.156483     -5.551084      3.044205
  Mo     -4.417437     -4.351346      3.158020
  N      -2.761279     -5.194693      3.937347
  C      -1.976046     -6.090584      3.095157
  C      -2.952401     -7.010299      2.391237
  H      -1.285986     -6.697213      3.701629
  H      -1.365339     -5.523323      2.368129
  H      -3.474781     -7.608629      3.151931
  H      -2.443567     -7.687433      1.685112
  H      -7.009634     -7.400056      2.485288
  H      -5.537529     -7.548961      3.484999
  H      -5.756988     -6.467298      0.623350
  H      -4.945194     -7.993539      1.089618
  H      -3.471703     -3.665391     -0.547379
  H      -4.956185     -4.116489      0.289971
  H      -2.329010     -5.696850      0.410598
  H      -3.792847     -6.228365     -0.453677
  C      -2.316054     -2.744857      1.604442
  C      -1.429955     -2.724650      0.494988
  C      -0.281164     -1.955555      0.470552
  C      -0.001115     -1.159756      1.582674
  F       1.132264     -0.410013      1.576805
  C      -0.826662     -1.117209      2.680472
  C      -2.005695     -1.897642      2.735691
  C      -2.896579     -1.825967      3.870380
  O      -3.890535     -2.680004      3.971281
  C      -2.851128     -0.881773      4.964881
  F      -3.949088     -1.042810      5.776133
  S      -1.774328      0.277076      5.407054
  C      -7.278221     -5.183794      3.743663
  C      -7.993640     -6.116986      4.534868
  C      -9.091304     -5.739402      5.286572
  C      -9.512240     -4.406169      5.248839
  F     -10.560526     -4.034713      6.024884
  C      -8.895753     -3.467359      4.452106
  C      -7.785759     -3.839545      3.666578
  C      -7.182266     -2.932798      2.710560
  O      -5.968980     -3.065651      2.345370
  C      -7.940526     -1.872451      2.023418
  F      -7.095360     -1.062997      1.327436
  S      -9.549208     -1.620080      1.916212
  C      -2.158899     -4.694410      5.086019
  C      -0.752608     -4.595734      5.173258
  C      -0.129632     -3.975178      6.247091
  C      -0.922454     -3.448968      7.265514
  F      -0.321893     -2.797600      8.291483
  C      -2.297396     -3.567975      7.257254
  C      -2.943192     -4.214514      6.186393
  C      -4.382423     -4.455103      6.220143
  O      -5.077041     -4.615514      5.145310
  C      -5.113273     -4.654282      7.462568
  F      -6.464716     -4.642827      7.237478
  S      -4.575315     -4.992090      8.975828
  H      -1.622936     -3.363730     -0.363630
  H       0.396759     -1.974762     -0.382787
  H      -0.577224     -0.474390      3.523257
  H      -7.632530     -7.141719      4.607497
  H      -9.606233     -6.450779      5.933032
  H      -9.264393     -2.444712      4.440396
  H      -0.138434     -4.946953      4.345942
  H       0.953664     -3.858676      6.281548
  H      -2.876962     -3.144377      8.073257
  N      -4.333007     -7.878188      5.634060
  H      -3.471476     -7.466879      6.003914
  H      -4.539483     -8.682060      6.232700
  H      -5.062623     -7.187169      5.829407
  N      -8.458850     -5.630590      0.501711
  N      -9.091966     -4.821453      0.101085
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.436059588706
  N      -3.415032     -3.579437      1.594086
  C      -3.857627     -4.184309      0.338397
  C      -3.424783     -5.636939      0.398075
  N      -3.962913     -6.193356      1.671000
  C      -5.198024     -6.972235      1.420836
  C      -6.021528     -6.958977      2.684080
  N      -6.156693     -5.551653      3.044359
  Mo     -4.417250     -4.352030      3.157825
  N      -2.761367     -5.195987      3.937546
  C      -1.976457     -6.092224      3.095275
  C      -2.953201     -7.011114      2.390728
  H      -1.286878     -6.699503      3.701647
  H      -1.365120     -5.525065      2.368682
  H      -3.475958     -7.609480      3.151135
  H      -2.444644     -7.688240      1.684413
  H      -7.010238     -7.399982      2.484287
  H      -5.538078     -7.549758      3.484013
  H      -5.757701     -6.465977      0.623174
  H      -4.945951     -7.992766      1.087865
  H      -3.469986     -3.665339     -0.546973
  H      -4.955613     -4.115866      0.289484
  H      -2.328845     -5.696829      0.411273
  H      -3.792186     -6.227939     -0.453933
  C      -2.315726     -2.744750      1.605449
  C      -1.428768     -2.725082      0.496682
  C      -0.279544     -1.956517      0.473035
  C      -0.000043     -1.160866      1.585376
  F       1.133814     -0.411903      1.580643
  C      -0.826797     -1.117466      2.682317
  C      -2.006262     -1.897104      2.736556
  C      -2.898375     -1.824930      3.870203
  O      -3.890538     -2.681014      3.971379
  C      -2.855968     -0.879113      4.963356
  F      -3.952192     -1.043997      5.776011
  S      -1.784602      0.286178      5.401812
  C      -7.278082     -5.184163      3.744065
  C      -7.993599     -6.117360      4.535195
  C      -9.090865     -5.739604      5.287413
  C      -9.511329     -4.406180      5.250179
  F     -10.559168     -4.034548      6.026749
  C      -8.894839     -3.467404      4.453447
  C      -7.785275     -3.839718      3.667365
  C      -7.182150     -2.933619      2.710641
  O      -5.969144     -3.067322      2.344700
  C      -7.940374     -1.873376      2.023432
  F      -7.095450     -1.065415      1.325368
  S      -9.548960     -1.619515      1.918111
  C      -2.158552     -4.695451      5.085759
  C      -0.752187     -4.597485      5.172987
  C      -0.129051     -3.976181      6.246281
  C      -0.921686     -3.448620      7.264173
  F      -0.320772     -2.796611      8.289567
  C      -2.296660     -3.567058      7.256050
  C      -2.942695     -4.214303      6.185758
  C      -4.381941     -4.454472      6.219805
  O      -5.076761     -4.615862      5.145215
  C      -5.112795     -4.651962      7.462494
  F      -6.464212     -4.640058      7.237672
  S      -4.574617     -4.988651      8.975988
  H      -1.621742     -3.364011     -0.362051
  H       0.398982     -1.975966     -0.379811
  H      -0.577956     -0.474161      3.524918
  H      -7.632721     -7.142198      4.607497
  H      -9.605772     -6.451000      5.933868
  H      -9.263053     -2.444597      4.442184
  H      -0.138128     -4.949680      4.346006
  H       0.954303     -3.860189      6.280831
  H      -2.876064     -3.142438      8.071649
  N      -4.333162     -7.878250      5.631897
  H      -3.470513     -7.466112      5.998256
  H      -4.536388     -8.682021      6.231777
  H      -5.062697     -7.187922      5.830070
  N      -8.458829     -5.627285      0.503249
  N      -9.094102     -4.821073      0.100154
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.436063934660
  N      -3.414575     -3.579407      1.594415
  C      -3.856623     -4.183983      0.338386
  C      -3.424528     -5.636737      0.398234
  N      -3.963371     -6.193439      1.670734
  C      -5.198752     -6.971697      1.419616
  C      -6.022257     -6.959575      2.682799
  N      -6.157094     -5.552527      3.044239
  Mo     -4.416821     -4.353515      3.157187
  N      -2.761375     -5.198237      3.937832
  C      -1.976952     -6.095266      3.095773
  C      -2.954379     -7.012611      2.389989
  H      -1.288529     -6.703841      3.702195
  H      -1.364070     -5.528379      2.370232
  H      -3.477690     -7.611256      3.149784
  H      -2.446255     -7.689584      1.683237
  H      -7.011152     -7.399888      2.482260
  H      -5.539131     -7.550840      3.482524
  H      -5.758686     -6.464302      0.622832
  H      -4.946808     -7.991799      1.085308
  H      -3.466866     -3.665219     -0.546218
  H      -4.954469     -4.114533      0.288152
  H      -2.328642     -5.697388      0.411839
  H      -3.791894     -6.227022     -0.454346
  C      -2.314987     -2.744687      1.607184
  C      -1.426348     -2.726120      0.499850
  C      -0.276721     -1.957782      0.477614
  C       0.001076     -1.161809      1.590025
  F       1.135182     -0.413257      1.587263
  C      -0.827779     -1.117308      2.685532
  C      -2.007382     -1.896459      2.738224
  C      -2.901135     -1.823900      3.870369
  O      -3.890596     -2.683110      3.971661
  C      -2.862508     -0.876146      4.961752
  F      -3.956337     -1.045750      5.776310
  S      -1.797513      0.296707      5.395876
  C      -7.277916     -5.184593      3.744173
  C      -7.994053     -6.117806      4.534828
  C      -9.090587     -5.739450      5.287841
  C      -9.509685     -4.405552      5.251769
  F     -10.556679     -4.033401      6.029280
  C      -8.892838     -3.466871      4.455283
  C      -7.784119     -3.839618      3.668222
  C      -7.181541     -2.934845      2.710053
  O      -5.969186     -3.070048      2.342436
  C      -7.939942     -1.874884      2.022766
  F      -7.095651     -1.069496      1.320906
  S      -9.548405     -1.618422      1.921085
  C      -2.158105     -4.696898      5.085196
  C      -0.751640     -4.599934      5.172460
  C      -0.128341     -3.977217      6.244805
  C      -0.920751     -3.447495      7.261767
  F      -0.319402     -2.794188      8.286142
  C      -2.295766     -3.565219      7.253871
  C      -2.942152     -4.213865      6.184629
  C      -4.381492     -4.453307      6.219086
  O      -5.076543     -4.616645      5.144921
  C      -5.112617     -4.648000      7.462155
  F      -6.463880     -4.635312      7.237391
  S      -4.574668     -4.982401      8.976373
  H      -1.618355     -3.365599     -0.358678
  H       0.403050     -1.977494     -0.374222
  H      -0.580367     -0.473003      3.527836
  H      -7.633972     -7.142976      4.606297
  H      -9.605879     -6.450841      5.933994
  H      -9.259879     -2.443630      4.445033
  H      -0.137661     -4.953749      4.346109
  H       0.955075     -3.861784      6.279547
  H      -2.874998     -3.138880      8.068696
  N      -4.331519     -7.878805      5.627872
  H      -3.467537     -7.463590      5.987752
  H      -4.527483     -8.682403      6.230494
  H      -5.061497     -7.190405      5.831357
  N      -8.463285     -5.622093      0.508880
  N      -9.103848     -4.822022      0.101939
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.436067347450
  N      -3.413537     -3.579771      1.594627
  C      -3.855371     -4.184122      0.338412
  C      -3.423993     -5.636929      0.398496
  N      -3.963268     -6.193638      1.670848
  C      -5.198877     -6.971608      1.419074
  C      -6.022459     -6.959948      2.682141
  N      -6.156919     -5.553071      3.044288
  Mo     -4.416149     -4.354913      3.156819
  N      -2.761250     -5.200396      3.938494
  C      -1.976984     -6.097739      3.096577
  C      -2.954728     -7.013842      2.389589
  H      -1.289584     -6.707341      3.703188
  H      -1.362726     -5.530921      2.372099
  H      -3.478361     -7.613176      3.148588
  H      -2.446768     -7.690307      1.682229
  H      -7.011483     -7.399799      2.481177
  H      -5.539587     -7.551507      3.481801
  H      -5.758798     -6.463639      0.622631
  H      -4.946904     -7.991486      1.084172
  H      -3.464418     -3.665559     -0.545805
  H      -4.953083     -4.113625      0.287046
  H      -2.328145     -5.698216      0.412218
  H      -3.791735     -6.226656     -0.454334
  C      -2.314289     -2.744382      1.607854
  C      -1.424948     -2.725954      0.501191
  C      -0.275847     -1.956573      0.479452
  C       0.000408     -1.159839      1.591548
  F       1.133792     -0.410148      1.589402
  C      -0.829266     -1.115431      2.686570
  C      -2.008161     -1.895544      2.738790
  C      -2.902404     -1.823633      3.870541
  O      -3.890058     -2.684794      3.971818
  C      -2.865836     -0.875153      4.961178
  F      -3.959084     -1.046726      5.775953
  S      -1.803790      0.300957      5.394097
  C      -7.277505     -5.184466      3.743978
  C      -7.994324     -6.117413      4.534470
  C      -9.090253     -5.738110      5.287848
  C      -9.508022     -4.403770      5.252299
  F     -10.554289     -4.030845      6.030465
  C      -8.890715     -3.465473      4.455793
  C      -7.782676     -3.839007      3.668135
  C      -7.180417     -2.935589      2.708500
  O      -5.968464     -3.071750      2.339827
  C      -7.939239     -1.876454      2.020570
  F      -7.095733     -1.073631      1.314779
  S      -9.547687     -1.618041      1.922019
  C      -2.157964     -4.698542      5.085455
  C      -0.751455     -4.602441      5.173128
  C      -0.128190     -3.979115      6.245143
  C      -0.920551     -3.448117      7.261461
  F      -0.319083     -2.794370      8.285509
  C      -2.295629     -3.565105      7.253290
  C      -2.942082     -4.214269      6.184395
  C      -4.381567     -4.452750      6.218759
  O      -5.076685     -4.617024      5.144857
  C      -5.113206     -4.645343      7.462011
  F      -6.464286     -4.631650      7.236962
  S      -4.575990     -4.978546      8.976808
  H      -1.615607     -3.366329     -0.356928
  H       0.404519     -1.975929     -0.371921
  H      -0.583015     -0.470379      3.528642
  H      -7.634966     -7.142847      4.605605
  H      -9.606064     -6.449175      5.933952
  H      -9.256703     -2.441850      4.446021
  H      -0.137283     -4.957323      4.347378
  H       0.955276     -3.864218      6.280291
  H      -2.874925     -3.137890      8.067615
  N      -4.330377     -7.879668      5.624927
  H      -3.465038     -7.461565      5.978218
  H      -4.519202     -8.683305      6.229796
  H      -5.061070     -7.193513      5.833474
  N      -8.469337     -5.618279      0.515832
  N      -9.115666     -4.823889      0.106879
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.435978799875
  N      -3.407355     -3.578552      1.597168
  C      -3.848635     -4.182045      0.340369
  C      -3.419132     -5.635128      0.400655
  N      -3.959624     -6.191838      1.672582
  C      -5.195882     -6.968853      1.419237
  C      -6.019731     -6.958117      2.682039
  N      -6.152846     -5.551662      3.045943
  Mo     -4.411153     -4.355546      3.158159
  N      -2.757708     -5.203183      3.941679
  C      -1.973860     -6.101061      3.099909
  C      -2.952258     -7.014437      2.390336
  H      -1.288681     -6.712823      3.706970
  H      -1.356825     -5.534508      2.377519
  H      -3.476818     -7.615180      3.147522
  H      -2.444647     -7.689824      1.681688
  H      -7.009136     -7.396733      2.480214
  H      -5.537572     -7.550805      3.481310
  H      -5.755268     -6.459488      0.623284
  H      -4.944102     -7.988363      1.083169
  H      -3.455262     -3.663854     -0.543043
  H      -4.946062     -4.109175      0.286663
  H      -2.323376     -5.697905      0.414791
  H      -3.787676     -6.223675     -0.452671
  C      -2.309040     -2.741755      1.610851
  C      -1.418844     -2.723129      0.505080
  C      -0.271008     -1.951544      0.483939
  C       0.002614     -1.153391      1.595430
  F       1.134526     -0.401373      1.593939
  C      -0.828004     -1.109656      2.689945
  C      -2.005385     -1.891972      2.741671
  C      -2.900152     -1.821888      3.873235
  O      -3.884940     -2.686078      3.974366
  C      -2.866588     -0.872929      4.963290
  F      -3.959380     -1.047538      5.777942
  S      -1.808378      0.306914      5.396104
  C      -7.273099     -5.181623      3.744990
  C      -7.991601     -6.114011      4.534829
  C      -9.086502     -5.732835      5.288650
  C      -9.501523     -4.397571      5.254154
  F     -10.546581     -4.023140      6.033278
  C      -8.882988     -3.460009      4.457860
  C      -7.776081     -3.835195      3.669360
  C      -7.174187     -2.934128      2.707253
  O      -5.962896     -3.071901      2.336855
  C      -7.933790     -1.876510      2.018145
  F      -7.091722     -1.078297      1.305318
  S      -9.542182     -1.614401      1.925513
  C      -2.154389     -4.700760      5.088150
  C      -0.747814     -4.606695      5.176816
  C      -0.124514     -3.982793      6.248520
  C      -0.916737     -3.449436      7.263669
  F      -0.315032     -2.795356      8.287377
  C      -2.291988     -3.564603      7.254707
  C      -2.938595     -4.214184      6.186150
  C      -4.378433     -4.450616      6.220135
  O      -5.073604     -4.616025      5.146645
  C      -5.111031     -4.639964      7.463644
  F      -6.461824     -4.623963      7.238066
  S      -4.575260     -4.971112      8.979425
  H      -1.607071     -3.365082     -0.352349
  H       0.410261     -1.970138     -0.366737
  H      -0.583653     -0.463555      3.531742
  H      -7.633837     -7.140042      4.605196
  H      -9.603608     -6.443235      5.934464
  H      -9.246960     -2.435659      4.448834
  H      -0.133221     -4.963579      4.352246
  H       0.959084     -3.869323      6.284571
  H      -2.871403     -3.135837      8.068138
  N      -4.326643     -7.891286      5.629271
  H      -3.460340     -7.465875      5.971272
  H      -4.501519     -8.694780      6.238523
  H      -5.060479     -7.210804      5.845248
  N      -8.597760     -5.643255      0.453931
  N      -9.272371     -4.878734      0.033867
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.436068055747
  N      -3.405735     -3.582198      1.596434
  C      -3.846000     -4.185045      0.339054
  C      -3.418511     -5.638483      0.400112
  N      -3.960237     -6.194074      1.672411
  C      -5.197028     -6.970991      1.417407
  C      -6.021351     -6.960577      2.679725
  N      -6.153043     -5.554489      3.044874
  Mo     -4.411105     -4.360665      3.156349
  N      -2.759280     -5.209873      3.942411
  C      -1.975408     -6.108297      3.101656
  C      -2.953939     -7.018964      2.389238
  H      -1.293274     -6.722246      3.710159
  H      -1.354788     -5.542500      2.381687
  H      -3.479370     -7.622021      3.143863
  H      -2.446221     -7.692507      1.678855
  H      -7.010908     -7.398507      2.477184
  H      -5.539901     -7.554174      3.478878
  H      -5.755109     -6.461029      0.620848
  H      -4.944782     -7.990325      1.081301
  H      -3.451408     -3.667040     -0.544021
  H      -4.943102     -4.109353      0.282157
  H      -2.322855     -5.702861      0.414287
  H      -3.788986     -6.226228     -0.452874
  C      -2.310474     -2.741750      1.608438
  C      -1.420014     -2.722462      0.503263
  C      -0.276574     -1.944263      0.480626
  C      -0.008327     -1.140503      1.589079
  F       1.118786     -0.380955      1.585175
  C      -0.838314     -1.099307      2.684253
  C      -2.010772     -1.889235      2.738210
  C      -2.903877     -1.824074      3.871898
  O      -3.885895     -2.690945      3.973253
  C      -2.870231     -0.876396      4.962827
  F      -3.964132     -1.050695      5.776456
  S      -1.809163      0.299321      5.400819
  C      -7.273842     -5.182584      3.741501
  C      -7.995325     -6.113924      4.530209
  C      -9.089889     -5.729948      5.282777
  C      -9.501655     -4.393641      5.248207
  F     -10.546220     -4.017082      6.027036
  C      -8.880951     -3.457395      4.452174
  C      -7.774489     -3.835184      3.664251
  C      -7.172840     -2.937351      2.698593
  O      -5.961986     -3.075673      2.326955
  C      -7.934752     -1.884043      2.005569
  F      -7.095187     -1.091532      1.283393
  S      -9.543461     -1.620177      1.918273
  C      -2.156930     -4.705954      5.088702
  C      -0.750432     -4.613838      5.179180
  C      -0.127433     -3.989914      6.251197
  C      -0.919920     -3.454449      7.264884
  F      -0.318730     -2.800210      8.288717
  C      -2.295435     -3.567590      7.254148
  C      -2.941696     -4.217451      6.185534
  C      -4.382125     -4.451737      6.218536
  O      -5.077031     -4.618100      5.145480
  C      -5.116290     -4.638651      7.462165
  F      -6.466686     -4.618665      7.235295
  S      -4.583339     -4.967492      8.979239
  H      -1.602401     -3.369631     -0.351487
  H       0.405724     -1.962028     -0.369284
  H      -0.597243     -0.450711      3.525012
  H      -7.639517     -7.140634      4.600499
  H      -9.609440     -6.438993      5.928142
  H      -9.242993     -2.432372      4.442488
  H      -0.134803     -4.972968      4.356353
  H       0.956279     -3.877987      6.288656
  H      -2.875462     -3.137620      8.066463
  N      -4.326017     -7.887508      5.620024
  H      -3.463401     -7.444123      5.947899
  H      -4.476646     -8.691153      6.235600
  H      -5.070299     -7.220674      5.842380
  N      -8.522013     -5.601774      0.554640
  N      -9.203873     -4.838935      0.143315
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.436022841133
  N      -3.413404     -3.582723      1.596520
  C      -3.855255     -4.186960      0.340162
  C      -3.423435     -5.639871      0.399669
  N      -3.962916     -6.196228      1.672176
  C      -5.198527     -6.974083      1.420593
  C      -6.022107     -6.962328      2.683808
  N      -6.156195     -5.555428      3.046027
  Mo     -4.416193     -4.356402      3.158954
  N      -2.761092     -5.201400      3.939411
  C      -1.976773     -6.098561      3.097563
  C      -2.954204     -7.015814      2.391720
  H      -1.288649     -6.707172      3.704276
  H      -1.363856     -5.532098      2.371739
  H      -3.477876     -7.614366      3.151331
  H      -2.446089     -7.692806      1.685004
  H      -7.011130     -7.402255      2.483141
  H      -5.539251     -7.554543      3.482994
  H      -5.757875     -6.466183      0.623675
  H      -4.946854     -7.994176      1.085996
  H      -3.466064     -3.668028     -0.544494
  H      -4.953183     -4.117707      0.290257
  H      -2.327564     -5.700545      0.413790
  H      -3.790587     -6.230511     -0.452713
  C      -2.314271     -2.747425      1.609071
  C      -1.424769     -2.729036      0.502282
  C      -0.276117     -1.959505      0.479825
  C       0.000089     -1.161665      1.591429
  F       1.133130     -0.411504      1.587872
  C      -0.829099     -1.117248      2.686528
  C      -2.007636     -1.898165      2.739643
  C      -2.901632     -1.826310      3.871746
  O      -3.891024     -2.685597      3.973121
  C      -2.863381     -0.878677      4.963382
  F      -3.960868     -1.044421      5.774111
  S      -1.800519      0.296394      5.396333
  C      -7.277337     -5.187303      3.745382
  C      -7.993895     -6.120058      4.536138
  C      -9.090490     -5.741325      5.288836
  C      -9.509269     -4.407315      5.252407
  F     -10.556178     -4.034724      6.029770
  C      -8.892119     -3.468997      4.455660
  C      -7.783447     -3.842367      3.668814
  C      -7.180959     -2.937888      2.710235
  O      -5.968487     -3.072730      2.342950
  C      -7.939609     -1.878668      2.021818
  F      -7.095172     -1.073481      1.319885
  S      -9.548114     -1.623582      1.918100
  C      -2.157873     -4.700204      5.087041
  C      -0.751454     -4.603497      5.174459
  C      -0.128049     -3.981277      6.247080
  C      -0.920503     -3.451691      7.264069
  F      -0.319263     -2.798810      8.288750
  C      -2.295555     -3.569273      7.255988
  C      -2.941890     -4.217504      6.186513
  C      -4.381222     -4.457319      6.220812
  O      -5.076190     -4.619874      5.146534
  C      -5.112172     -4.653322      7.463748
  F      -6.463319     -4.648248      7.237354
  S      -4.574002     -4.993612      8.976395
  H      -1.615372     -3.369665     -0.355693
  H       0.404383     -1.979839     -0.371416
  H      -0.582766     -0.472038      3.528453
  H      -7.634101     -7.145326      4.607904
  H      -9.606055     -6.452335      5.935193
  H      -9.259063     -2.445747      4.444930
  H      -0.137508     -4.957413      4.348116
  H       0.955405     -3.866261      6.281871
  H      -2.874788     -3.143106      8.070904
  N      -4.334166     -7.829471      5.596131
  H      -3.472939     -7.406554      5.953652
  H      -4.523869     -8.631406      6.202956
  H      -5.068410     -7.145132      5.798064
  N      -8.461457     -5.619623      0.528614
  N      -9.107627     -4.823075      0.123647
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.435946929599
  N      -3.417505     -3.575361      1.591300
  C      -3.859033     -4.179872      0.334669
  C      -3.425326     -5.632776      0.392834
  N      -3.965561     -6.189479      1.664722
  C      -5.201107     -6.966225      1.413502
  C      -6.024647     -6.955603      2.677239
  N      -6.158856     -5.548751      3.040371
  Mo     -4.419273     -4.346687      3.154006
  N      -2.762830     -5.190167      3.930983
  C      -1.979175     -6.087534      3.088641
  C      -2.956734     -7.007580      2.386295
  H      -1.288275     -6.693796      3.694286
  H      -1.370326     -5.521542      2.359158
  H      -3.480699     -7.602455      3.148693
  H      -2.448919     -7.687225      1.682009
  H      -7.013703     -7.395374      2.476538
  H      -5.541675     -7.548948      3.475346
  H      -5.760419     -6.457380      0.617165
  H      -4.950724     -7.986340      1.077707
  H      -3.472308     -3.660130     -0.550350
  H      -4.957489     -4.114726      0.289113
  H      -2.329378     -5.691430      0.408908
  H      -3.788864     -6.225471     -0.459621
  C      -2.315587     -2.743602      1.606045
  C      -1.423666     -2.727568      0.500516
  C      -0.271670     -1.963832      0.479661
  C       0.006756     -1.167743      1.592658
  F       1.143655     -0.423876      1.590740
  C      -0.824849     -1.119250      2.685328
  C      -2.007299     -1.894319      2.736173
  C      -2.904660     -1.817686      3.864971
  O      -3.895775     -2.675527      3.966631
  C      -2.869243     -0.867038      4.954660
  F      -3.965352     -1.035237      5.766920
  S      -1.815174      0.318888      5.377232
  C      -7.279973     -5.182582      3.741200
  C      -7.994776     -6.115968      4.532250
  C      -9.092263     -5.740042      5.285300
  C      -9.513930     -4.406916      5.248851
  F     -10.561830     -4.036290      6.025617
  C      -8.897984     -3.467375      4.452341
  C      -7.788412     -3.838647      3.665819
  C      -7.185504     -2.930876      2.711026
  O      -5.972535     -3.065458      2.345387
  C      -7.941170     -1.867204      2.025456
  F      -7.093003     -1.055925      1.335222
  S      -9.548849     -1.612944      1.914919
  C      -2.158347     -4.690321      5.078990
  C      -0.751876     -4.592459      5.164612
  C      -0.127646     -3.970693      6.236936
  C      -0.919721     -3.442219      7.254945
  F      -0.317822     -2.789472      8.279383
  C      -2.294612     -3.560903      7.248466
  C      -2.941538     -4.209053      6.179373
  C      -4.380207     -4.452095      6.215119
  O      -5.075487     -4.613578      5.140304
  C      -5.108721     -4.651862      7.457997
  F      -6.460387     -4.655902      7.232400
  S      -4.566179     -4.997940      8.967655
  H      -1.617869     -3.365182     -0.359008
  H       0.409975     -1.987727     -0.370530
  H      -0.577375     -0.474310      3.527182
  H      -7.633703     -7.140835      4.604162
  H      -9.606065     -6.452195      5.931769
  H      -9.267078     -2.444926      4.441482
  H      -0.139510     -4.945312      4.336637
  H       0.955811     -3.855416      6.270216
  H      -2.872868     -3.135325      8.064414
  N      -4.336842     -7.936052      5.682579
  H      -3.476472     -7.518916      6.049131
  H      -4.540106     -8.735526      6.288285
  H      -5.066997     -7.244774      5.875902
  N      -8.415773     -5.614466      0.526807
  N      -9.046747     -4.804081      0.125359
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.435924025659
  N      -3.407481     -3.580233      1.593975
  C      -3.848342     -4.183566      0.337139
  C      -3.418875     -5.636521      0.398116
  N      -3.959339     -6.192673      1.670515
  C      -5.195371     -6.970627      1.416603
  C      -6.020222     -6.958387      2.678493
  N      -6.152803     -5.551947      3.042062
  Mo     -4.412544     -4.356846      3.155185
  N      -2.759753     -5.203667      3.939915
  C      -1.974610     -6.100963      3.099129
  C      -2.951730     -7.014705      2.388421
  H      -1.290222     -6.712352      3.707558
  H      -1.356639     -5.534328      2.377567
  H      -3.476084     -7.617348      3.144150
  H      -2.442941     -7.688563      1.679095
  H      -7.009522     -7.397147      2.476598
  H      -5.538646     -7.551129      3.478167
  H      -5.753333     -6.462576      0.618827
  H      -4.942699     -7.990576      1.082609
  H      -3.455726     -3.665116     -0.546574
  H      -4.945612     -4.109930      0.281563
  H      -2.323113     -5.699408      0.411799
  H      -3.788754     -6.224967     -0.454615
  C      -2.312187     -2.740275      1.604778
  C      -1.425078     -2.718175      0.496815
  C      -0.280995     -1.941184      0.473000
  C      -0.008243     -1.141245      1.583319
  F       1.119582     -0.382824      1.577875
  C      -0.834852     -1.102433      2.680939
  C      -2.008365     -1.890939      2.736061
  C      -2.899050     -1.825570      3.871443
  O      -3.886636     -2.686403      3.971547
  C      -2.857554     -0.883277      4.967105
  F      -3.942838     -1.066543      5.790404
  S      -1.774582      0.264049      5.425773
  C      -7.274180     -5.181379      3.739388
  C      -7.993813     -6.113427      4.528694
  C      -9.089439     -5.731345      5.280804
  C      -9.504008     -4.395981      5.245261
  F     -10.549868     -4.021077      6.023095
  C      -8.884561     -3.458920      4.449099
  C      -7.776749     -3.834957      3.662237
  C      -7.174774     -2.934098      2.699497
  O      -5.963146     -3.069558      2.329716
  C      -7.936463     -1.878121      2.010079
  F      -7.096125     -1.078672      1.296658
  S      -9.545373     -1.617432      1.920015
  C      -2.158021     -4.699480      5.086724
  C      -0.751750     -4.603342      5.176187
  C      -0.129617     -3.978702      6.248307
  C      -0.922815     -3.446589      7.263233
  F      -0.322714     -2.792193      8.287543
  C      -2.298055     -3.563153      7.253156
  C      -2.943253     -4.212918      6.183908
  C      -4.383073     -4.450248      6.217253
  O      -5.077664     -4.615957      5.143875
  C      -5.115401     -4.640055      7.461249
  F      -6.466675     -4.595101      7.241671
  S      -4.579480     -4.942426      8.982805
  H      -1.611013     -3.361958     -0.359746
  H       0.398535     -1.956969     -0.379156
  H      -0.590469     -0.457185      3.523329
  H      -7.636284     -7.139498      4.599620
  H      -9.607824     -6.441109      5.926305
  H      -9.248671     -2.434602      4.438760
  H      -0.135822     -4.959586      4.352336
  H       0.953815     -3.863862      6.284734
  H      -2.878664     -3.135741      8.066475
  N      -4.331961     -7.926847      5.649206
  H      -3.472873     -7.489150      5.993585
  H      -4.498543     -8.730854      6.260089
  H      -5.076030     -7.256066      5.860098
  N      -8.519412     -5.614301      0.527850
  N      -9.192688     -4.842155      0.119712
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.436052099731
  N      -3.404789     -3.583210      1.596637
  C      -3.845529     -4.186469      0.339729
  C      -3.417688     -5.639794      0.401394
  N      -3.958605     -6.195140      1.674126
  C      -5.195081     -6.972961      1.420211
  C      -6.019650     -6.960415      2.682243
  N      -6.151553     -5.553909      3.045432
  Mo     -4.410511     -4.360460      3.157280
  N      -2.758686     -5.208757      3.943551
  C      -1.973904     -6.106677      3.103202
  C      -2.951587     -7.018641      2.391243
  H      -1.291143     -6.719544      3.712083
  H      -1.353927     -5.540532      2.382957
  H      -3.476281     -7.622361      3.145851
  H      -2.443199     -7.691868      1.681031
  H      -7.009109     -7.398843      2.480421
  H      -5.538335     -7.553030      3.482301
  H      -5.753066     -6.464726      0.622555
  H      -4.942446     -7.992872      1.086179
  H      -3.451507     -3.668618     -0.543769
  H      -4.942585     -4.110817      0.282586
  H      -2.322004     -5.703992      0.414878
  H      -3.788766     -6.227691     -0.451215
  C      -2.310104     -2.742403      1.607267
  C      -1.421896     -2.721456      0.500379
  C      -0.279131     -1.942269      0.476418
  C      -0.009385     -1.139301      1.585069
  F       1.116864     -0.378406      1.579450
  C      -0.836959     -1.100110      2.682101
  C      -2.008591     -1.891317      2.737748
  C      -2.899356     -1.826906      3.873241
  O      -3.884758     -2.690069      3.973777
  C      -2.860152     -0.882223      4.966740
  F      -3.963005     -1.041904      5.771370
  S      -1.791898      0.285274      5.409410
  C      -7.272403     -5.181881      3.742378
  C      -7.993064     -6.113074      4.531955
  C      -9.087648     -5.729081      5.284507
  C      -9.500021     -4.393026      5.249216
  F     -10.544661     -4.016494      6.027968
  C      -8.879885     -3.456952      4.452516
  C      -7.773358     -3.834724      3.664668
  C      -7.171777     -2.936167      2.699359
  O      -5.960794     -3.073229      2.327878
  C      -7.934293     -1.882355      2.007765
  F      -7.095316     -1.088902      1.286000
  S      -9.543363     -1.620914      1.919260
  C      -2.157154     -4.704908      5.090393
  C      -0.750804     -4.611066      5.180776
  C      -0.128404     -3.987084      6.253115
  C      -0.921376     -3.453150      7.267177
  F      -0.320987     -2.798504      8.291166
  C      -2.296778     -3.567966      7.256463
  C      -2.942384     -4.218118      6.187631
  C      -4.382889     -4.453044      6.219828
  O      -5.077180     -4.618031      5.146329
  C      -5.117647     -4.643395      7.462733
  F      -6.467681     -4.634234      7.232651
  S      -4.586350     -4.982787      8.978054
  H      -1.605078     -3.368016     -0.354671
  H       0.401526     -1.958477     -0.374843
  H      -0.594638     -0.452807      3.523531
  H      -7.636795     -7.139598      4.602667
  H      -9.606880     -6.437957      5.930316
  H      -9.242356     -2.432070      4.442411
  H      -0.134689     -4.968605      4.357619
  H       0.955152     -3.873610      6.290278
  H      -2.877271     -3.138691      8.068751
  N      -4.331795     -7.877321      5.612307
  H      -3.473521     -7.431869      5.948713
  H      -4.486175     -8.681868      6.225772
  H      -5.079995     -7.212683      5.828139
  N      -8.534484     -5.610004      0.542114
  N      -9.218539     -4.848330      0.132235
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.436070000453
  N      -3.412768     -3.580503      1.594302
  C      -3.854250     -4.184947      0.337836
  C      -3.422373     -5.637859      0.397564
  N      -3.962326     -6.193999      1.670000
  C      -5.197949     -6.971727      1.418202
  C      -6.021798     -6.960010      2.681310
  N      -6.155514     -5.553168      3.043844
  Mo     -4.415809     -4.354031      3.156497
  N      -2.760842     -5.198830      3.937080
  C      -1.976422     -6.096194      3.095574
  C      -2.953716     -7.013631      2.389786
  H      -1.288353     -6.704599      3.702537
  H      -1.363559     -5.529999      2.369504
  H      -3.477524     -7.612245      3.149255
  H      -2.445495     -7.690668      1.683204
  H      -7.010900     -7.399625      2.480427
  H      -5.539369     -7.552709      3.480401
  H      -5.757022     -6.463690      0.621187
  H      -4.946358     -7.991833      1.083558
  H      -3.465079     -3.666115     -0.546826
  H      -4.952213     -4.115984      0.288024
  H      -2.326503     -5.698323      0.412303
  H      -3.788928     -6.228934     -0.454764
  C      -2.313809     -2.744939      1.607119
  C      -1.423490     -2.726803      0.500898
  C      -0.275047     -1.957069      0.478767
  C       0.000258     -1.158519      1.590155
  F       1.133156     -0.408166      1.586795
  C      -0.829596     -1.113795      2.684665
  C      -2.007976     -1.895042      2.737465
  C      -2.902615     -1.823205      3.869050
  O      -3.891740     -2.682830      3.970318
  C      -2.865379     -0.875356      4.960613
  F      -3.959957     -1.045956      5.774387
  S      -1.801468      0.297717      5.396161
  C      -7.276672     -5.184900      3.743133
  C      -7.993467     -6.117627      4.533644
  C      -9.089943     -5.738869      5.286488
  C      -9.508314     -4.404710      5.250506
  F     -10.554962     -4.032020      6.028142
  C      -8.891028     -3.466374      4.453864
  C      -7.782647     -3.839901      3.666658
  C      -7.180543     -2.935513      2.707703
  O      -5.968346     -3.070661      2.339660
  C      -7.939420     -1.876452      2.019136
  F      -7.094878     -1.070017      1.318740
  S      -9.547807     -1.620111      1.917053
  C      -2.157703     -4.697645      5.084854
  C      -0.751320     -4.601076      5.172576
  C      -0.128065     -3.979520      6.245705
  C      -0.920681     -3.450627      7.262925
  F      -0.319603     -2.798717      8.288320
  C      -2.295748     -3.568099      7.254466
  C      -2.941844     -4.215337      6.184291
  C      -4.381051     -4.455580      6.218338
  O      -5.075976     -4.617559      5.144005
  C      -5.111615     -4.652092      7.461366
  F      -6.463083     -4.641881      7.236642
  S      -4.572638     -4.987002      8.974886
  H      -1.613443     -3.367865     -0.356887
  H       0.406122     -1.977878     -0.371927
  H      -0.583874     -0.468231      3.526485
  H      -7.633978     -7.143036      4.605097
  H      -9.605636     -6.449876      5.932745
  H      -9.257764     -2.443066      4.443389
  H      -0.137263     -4.954866      4.346260
  H       0.955411     -3.864831      6.280804
  H      -2.875118     -3.142726      8.069741
  N      -4.337480     -7.870483      5.626390
  H      -3.478752     -7.440680      5.981839
  H      -4.520976     -8.671924      6.235809
  H      -5.076002     -7.190521      5.827806
  N      -8.463625     -5.615742      0.533263
  N      -9.117614     -4.825806      0.127892
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.436078917028
  N      -3.406184     -3.580805      1.595768
  C      -3.845461     -4.183540      0.337695
  C      -3.417313     -5.637137      0.397836
  N      -3.960768     -6.192758      1.669358
  C      -5.197863     -6.968064      1.413537
  C      -6.022491     -6.959285      2.676065
  N      -6.153123     -5.553575      3.043488
  Mo     -4.411516     -4.358024      3.155082
  N      -2.759356     -5.206710      3.939120
  C      -1.976208     -6.105798      3.098366
  C      -2.955114     -7.017658      2.387744
  H      -1.292912     -6.718614      3.706519
  H      -1.357698     -5.540878      2.375984
  H      -3.481482     -7.618230      3.143754
  H      -2.447781     -7.693052      1.678928
  H      -7.012389     -7.396057      2.472815
  H      -5.541702     -7.555105      3.473816
  H      -5.755303     -6.456346      0.617628
  H      -4.946889     -7.987213      1.075697
  H      -3.451755     -3.665077     -0.545278
  H      -4.942947     -4.110394      0.283312
  H      -2.321639     -5.700421      0.414392
  H      -3.784702     -6.226445     -0.455359
  C      -2.309514     -2.742029      1.609883
  C      -1.416081     -2.724535      0.506560
  C      -0.270982     -1.949428      0.485550
  C      -0.003112     -1.145499      1.594536
  F       1.126076     -0.389367      1.592126
  C      -0.835953     -1.101299      2.687065
  C      -2.010453     -1.888332      2.738930
  C      -2.906966     -1.820562      3.869568
  O      -3.888932     -2.687867      3.970992
  C      -2.877564     -0.870526      4.959000
  F      -3.968855     -1.050837      5.775113
  S      -1.824786      0.314321      5.390590
  C      -7.273884     -5.182560      3.740836
  C      -7.995115     -6.114167      4.529025
  C      -9.089928     -5.731649      5.282117
  C      -9.502398     -4.395484      5.248467
  F     -10.547116     -4.019789      6.027328
  C      -8.881882     -3.458536      4.452913
  C      -7.775328     -3.835508      3.664738
  C      -7.174013     -2.936144      2.700589
  O      -5.963331     -3.075040      2.328706
  C      -7.934345     -1.880207      2.009172
  F      -7.092650     -1.085606      1.291778
  S      -9.542513     -1.616502      1.918327
  C      -2.155890     -4.703306      5.085460
  C      -0.749370     -4.610684      5.174753
  C      -0.125759     -3.986777      6.246414
  C      -0.917982     -3.451556      7.260538
  F      -0.316319     -2.797275      8.284110
  C      -2.293425     -3.565260      7.250856
  C      -2.940038     -4.215244      6.182624
  C      -4.379906     -4.452334      6.216755
  O      -5.075104     -4.617971      5.143469
  C      -5.111826     -4.642277      7.460620
  F      -6.462872     -4.627028      7.235380
  S      -4.574929     -4.972192      8.975917
  H      -1.599587     -3.370554     -0.348907
  H       0.413228     -1.970091     -0.362725
  H      -0.595515     -0.451997      3.527486
  H      -7.639399     -7.141010      4.598661
  H      -9.608887     -6.441356      5.927206
  H      -9.244658     -2.433799      4.443565
  H      -0.134840     -4.969747      4.351068
  H       0.957997     -3.875085      6.282915
  H      -2.872775     -3.135496      8.063809
  N      -4.332962     -7.899684      5.637866
  H      -3.473321     -7.449160      5.964231
  H      -4.479850     -8.700808      6.257721
  H      -5.080568     -7.235209      5.856664
  N      -8.517422     -5.602952      0.556989
  N      -9.205879     -4.846217      0.145387
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.436086791607
  N      -3.406362     -3.582328      1.596263
  C      -3.846219     -4.185282      0.338647
  C      -3.417650     -5.638718      0.399156
  N      -3.960085     -6.194392      1.671038
  C      -5.196831     -6.970628      1.416223
  C      -6.021466     -6.960148      2.678578
  N      -6.152679     -5.554077      3.044177
  Mo     -4.411765     -4.358751      3.156352
  N      -2.759465     -5.206663      3.940525
  C      -1.975512     -6.105072      3.099856
  C      -2.953743     -7.017981      2.389595
  H      -1.291559     -6.717022      3.708145
  H      -1.357584     -5.539596      2.377398
  H      -3.479420     -7.619007      3.145724
  H      -2.445874     -7.693121      1.680903
  H      -7.011194     -7.397624      2.476058
  H      -5.540428     -7.554763      3.477175
  H      -5.754438     -6.460476      0.619466
  H      -4.945387     -7.990226      1.080130
  H      -3.452990     -3.666829     -0.544655
  H      -4.943646     -4.112098      0.283970
  H      -2.321943     -5.701872      0.414743
  H      -3.785848     -6.227862     -0.453800
  C      -2.310181     -2.743279      1.609092
  C      -1.419319     -2.723963      0.503835
  C      -0.274633     -1.948173      0.481547
  C      -0.004718     -1.145722      1.591048
  F       1.123861     -0.388612      1.587125
  C      -0.834990     -1.103629      2.685633
  C      -2.009009     -1.891380      2.739018
  C      -2.903102     -1.824344      3.871542
  O      -3.888097     -2.688315      3.972256
  C      -2.868109     -0.877518      4.963657
  F      -3.963618     -1.049712      5.775859
  S      -1.806057      0.296593      5.402082
  C      -7.273650     -5.183177      3.741599
  C      -7.994108     -6.114772      4.530524
  C      -9.089289     -5.732392      5.283175
  C      -9.502782     -4.396611      5.248402
  F     -10.548015     -4.021130      6.026706
  C      -8.882775     -3.459774      4.452329
  C      -7.775622     -3.836468      3.664863
  C      -7.174055     -2.936439      2.701333
  O      -5.962982     -3.073838      2.330339
  C      -7.934996     -1.880506      2.010675
  F      -7.093762     -1.083504      1.295475
  S      -9.543532     -1.619141      1.918869
  C      -2.156659     -4.703122      5.087177
  C      -0.750268     -4.608448      5.176124
  C      -0.127246     -3.983870      6.247734
  C      -0.919892     -3.449973      7.262193
  F      -0.318950     -2.794832      8.285595
  C      -2.295195     -3.565595      7.252805
  C      -2.941200     -4.216301      6.184633
  C      -4.381067     -4.454037      6.218339
  O      -5.075833     -4.618965      5.144788
  C      -5.113297     -4.645994      7.461821
  F      -6.464252     -4.631640      7.235879
  S      -4.577405     -4.976909      8.977293
  H      -1.604059     -3.368962     -0.352144
  H       0.407619     -1.966959     -0.368353
  H      -0.592980     -0.455869      3.526822
  H      -7.637647     -7.141291      4.600912
  H      -9.607949     -6.442011      5.928603
  H      -9.246231     -2.435254      4.442283
  H      -0.135313     -4.965972      4.352087
  H       0.956330     -3.870302      6.283752
  H      -2.874989     -3.136450      8.065731
  N      -4.335767     -7.882116      5.622829
  H      -3.477500     -7.433957      5.955802
  H      -4.488526     -8.683770      6.240439
  H      -5.083503     -7.216601      5.837755
  N      -8.513936     -5.607551      0.552439
  N      -9.198734     -4.846313      0.143022
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.436088702598
  N      -3.406723     -3.582074      1.595979
  C      -3.846638     -4.185091      0.338355
  C      -3.417732     -5.638501      0.398690
  N      -3.960218     -6.194176      1.670514
  C      -5.196928     -6.970299      1.415840
  C      -6.021537     -6.959905      2.678285
  N      -6.152714     -5.553825      3.043953
  Mo     -4.412057     -4.357991      3.156135
  N      -2.759579     -5.205564      3.939873
  C      -1.975627     -6.103948      3.099161
  C      -2.953794     -7.017408      2.389442
  H      -1.291185     -6.715431      3.707333
  H      -1.358378     -5.538517      2.376108
  H      -3.479492     -7.617891      3.146002
  H      -2.445907     -7.692956      1.681170
  H      -7.011296     -7.397319      2.475821
  H      -5.540489     -7.554660      3.476763
  H      -5.754545     -6.460086      0.619122
  H      -4.945663     -7.989927      1.079653
  H      -3.453883     -3.666559     -0.545041
  H      -4.944165     -4.112593      0.284450
  H      -2.322009     -5.701306      0.414535
  H      -3.785390     -6.228032     -0.454228
  C      -2.310209     -2.743398      1.609130
  C      -1.418795     -2.724459      0.504173
  C      -0.273654     -1.949471      0.482195
  C      -0.003597     -1.147146      1.591863
  F       1.125540     -0.390939      1.588252
  C      -0.834355     -1.104430      2.685975
  C      -2.008901     -1.891430      2.738997
  C      -2.903596     -1.823634      3.870932
  O      -3.888959     -2.687304      3.971615
  C      -2.869129     -0.876386      4.962803
  F      -3.964143     -1.049519      5.775508
  S      -1.807457      0.297999      5.401041
  C      -7.273699     -5.183168      3.741539
  C      -7.993817     -6.114793      4.530644
  C      -9.089059     -5.732766      5.283417
  C      -9.502917     -4.397091      5.248629
  F     -10.548109     -4.021794      6.027040
  C      -8.883196     -3.460156      4.452402
  C      -7.776099     -3.836660      3.664754
  C      -7.174624     -2.936305      2.701485
  O      -5.963476     -3.073590      2.330719
  C      -7.935394     -1.880387      2.010456
  F      -7.093635     -1.082247      1.297159
  S      -9.543923     -1.620220      1.916442
  C      -2.156605     -4.702271      5.086639
  C      -0.750216     -4.607522      5.175408
  C      -0.127096     -3.983523      6.247298
  C      -0.919703     -3.450404      7.262217
  F      -0.318679     -2.796001      8.286048
  C      -2.294985     -3.566205      7.252976
  C      -2.941030     -4.216119      6.184384
  C      -4.380782     -4.454357      6.218139
  O      -5.075579     -4.618802      5.144467
  C      -5.112521     -4.647031      7.461616
  F      -6.463570     -4.635758      7.235654
  S      -4.575665     -4.978821      8.976520
  H      -1.603859     -3.369141     -0.351965
  H       0.408897     -1.968840     -0.367445
  H      -0.592293     -0.456687      3.527168
  H      -7.637155     -7.141249      4.601119
  H      -9.607378     -6.442485      5.929006
  H      -9.246884     -2.435739      4.442405
  H      -0.135474     -4.964673      4.351045
  H       0.956489     -3.870026      6.283201
  H      -2.874664     -3.137749      8.066375
  N      -4.337650     -7.881252      5.624186
  H      -3.479463     -7.432158      5.956156
  H      -4.489867     -8.681958      6.243173
  H      -5.085401     -7.215566      5.838678
  N      -8.510948     -5.608070      0.554267
  N      -9.196846     -4.847648      0.145187
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.436091819006
  N      -3.406430     -3.581853      1.595922
  C      -3.846251     -4.184621      0.338060
  C      -3.417074     -5.638073      0.397959
  N      -3.960002     -6.193864      1.669484
  C      -5.196813     -6.969437      1.414644
  C      -6.021494     -6.959410      2.677156
  N      -6.152156     -5.553428      3.043534
  Mo     -4.411937     -4.357115      3.155929
  N      -2.759460     -5.204464      3.939018
  C      -1.975585     -6.102823      3.098177
  C      -2.953733     -7.016866      2.389006
  H      -1.290528     -6.713760      3.706152
  H      -1.359245     -5.537473      2.374317
  H      -3.479749     -7.616559      3.145984
  H      -2.445835     -7.693011      1.681340
  H      -7.011452     -7.396269      2.474527
  H      -5.540708     -7.554836      3.475290
  H      -5.754203     -6.458733      0.618054
  H      -4.946037     -7.989069      1.078024
  H      -3.453922     -3.665838     -0.545281
  H      -4.943905     -4.113025      0.285138
  H      -2.321342     -5.700523      0.414447
  H      -3.783795     -6.228030     -0.455057
  C      -2.309584     -2.743591      1.609816
  C      -1.417302     -2.724908      0.505342
  C      -0.271696     -1.950830      0.483917
  C      -0.001698     -1.148653      1.593897
  F       1.128031     -0.393442      1.590766
  C      -0.833211     -1.105318      2.687274
  C      -2.008304     -1.891582      2.739705
  C      -2.903878     -1.823031      3.870762
  O      -3.890012     -2.686091      3.971006
  C      -2.870069     -0.875586      4.962678
  F      -3.967313     -1.046500      5.772916
  S      -1.810162      0.300604      5.399702
  C      -7.273261     -5.182990      3.741129
  C      -7.993355     -6.114623      4.530089
  C      -9.088941     -5.733016      5.282622
  C      -9.503197     -4.397445      5.247674
  F     -10.548691     -4.022367      6.025721
  C      -8.883489     -3.460423      4.451477
  C      -7.776098     -3.836742      3.664147
  C      -7.174687     -2.936100      2.701176
  O      -5.963447     -3.073197      2.330741
  C      -7.935390     -1.880341      2.009592
  F      -7.093057     -1.080322      1.299091
  S      -9.543924     -1.621935      1.913024
  C      -2.156087     -4.701399      5.085872
  C      -0.749715     -4.606172      5.174064
  C      -0.126408     -3.982601      6.246100
  C      -0.918912     -3.450452      7.261626
  F      -0.317760     -2.796540      8.285703
  C      -2.294147     -3.566828      7.252881
  C      -2.940272     -4.216188      6.184058
  C      -4.379854     -4.455534      6.218023
  O      -5.074703     -4.619140      5.144183
  C      -5.110679     -4.649907      7.461517
  F      -6.462032     -4.638762      7.236598
  S      -4.572258     -4.979359      8.976334
  H      -1.602704     -3.369096     -0.351098
  H       0.411345     -1.970847     -0.365305
  H      -0.591273     -0.457640      3.528569
  H      -7.636628     -7.141071      4.600689
  H      -9.607158     -6.442851      5.928156
  H      -9.247547     -2.436150      4.441251
  H      -0.135379     -4.962770      4.349151
  H       0.957164     -3.868908      6.281551
  H      -2.873593     -3.139107      8.066851
  N      -4.342743     -7.882498      5.626580
  H      -3.484904     -7.428403      5.952706
  H      -4.488747     -8.681341      6.249514
  H      -5.092038     -7.218873      5.842375
  N      -8.512291     -5.608435      0.561610
  N      -9.206362     -4.855024      0.153356
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.436095702069
  N      -3.404972     -3.582111      1.596194
  C      -3.844592     -4.184506      0.338066
  C      -3.415475     -5.638024      0.397840
  N      -3.958981     -6.193844      1.669045
  C      -5.195984     -6.968824      1.413863
  C      -6.020976     -6.958674      2.676198
  N      -6.150744     -5.552757      3.043236
  Mo     -4.411169     -4.356666      3.156024
  N      -2.759159     -5.203897      3.939155
  C      -1.975086     -6.102166      3.098379
  C      -2.953034     -7.016629      2.389233
  H      -1.289695     -6.712637      3.706423
  H      -1.359214     -5.536817      2.374131
  H      -3.479527     -7.615993      3.146129
  H      -2.444875     -7.693085      1.682065
  H      -7.011243     -7.394662      2.473289
  H      -5.540791     -7.554766      3.474235
  H      -5.752848     -6.457789      0.617078
  H      -4.945677     -7.988580      1.077219
  H      -3.452218     -3.665553     -0.545125
  H      -4.942271     -4.113237      0.285318
  H      -2.319747     -5.700459      0.414862
  H      -3.781656     -6.228109     -0.455309
  C      -2.308403     -2.743649      1.610483
  C      -1.416182     -2.724183      0.505860
  C      -0.270739     -1.950019      0.484571
  C      -0.000648     -1.148255      1.594955
  F       1.128930     -0.392870      1.591752
  C      -0.831968     -1.105590      2.688397
  C      -2.006977     -1.892111      2.740760
  C      -2.902442     -1.823813      3.871771
  O      -3.890247     -2.685267      3.970966
  C      -2.867096     -0.878185      4.965370
  F      -3.964297     -1.049389      5.775694
  S      -1.802012      0.290901      5.408416
  C      -7.272138     -5.182056      3.740382
  C      -7.992639     -6.113382      4.529235
  C      -9.088711     -5.731589      5.280988
  C      -9.503084     -4.396053      5.245226
  F     -10.549122     -4.020745      6.022383
  C      -8.883005     -3.459362      4.448895
  C      -7.775026     -3.835995      3.662538
  C      -7.173591     -2.935692      2.699276
  O      -5.962197     -3.072285      2.329328
  C      -7.934835     -1.880841      2.006768
  F      -7.092753     -1.080367      1.296496
  S      -9.543647     -1.625761      1.907259
  C      -2.155608     -4.700233      5.085885
  C      -0.749335     -4.603383      5.173201
  C      -0.126157     -3.978671      6.244674
  C      -0.918759     -3.446846      7.260268
  F      -0.317862     -2.791606      8.283635
  C      -2.293893     -3.564743      7.252290
  C      -2.939779     -4.215467      6.184191
  C      -4.379235     -4.456434      6.218389
  O      -5.073899     -4.619595      5.144413
  C      -5.109413     -4.653208      7.461778
  F      -6.460814     -4.647696      7.236297
  S      -4.570329     -4.984171      8.976006
  H      -1.601770     -3.367870     -0.350930
  H       0.412186     -1.969621     -0.364751
  H      -0.589940     -0.458521      3.530151
  H      -7.636062     -7.139860      4.600333
  H      -9.607307     -6.441188      5.926469
  H      -9.247310     -2.435171      4.437841
  H      -0.135157     -4.959533      4.347976
  H       0.957307     -3.863751      6.279322
  H      -2.873329     -3.137000      8.066234
  N      -4.351096     -7.884261      5.626681
  H      -3.493947     -7.421530      5.942358
  H      -4.484705     -8.681628      6.254305
  H      -5.103869     -7.225826      5.846457
  N      -8.523482     -5.609181      0.573365
  N      -9.233753     -4.870065      0.166851
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.436097966010
  N      -3.403754     -3.582314      1.596237
  C      -3.843295     -4.184658      0.338130
  C      -3.414342     -5.638160      0.398195
  N      -3.957862     -6.193976      1.669371
  C      -5.194921     -6.968970      1.414081
  C      -6.020063     -6.958462      2.676228
  N      -6.149548     -5.552495      3.043179
  Mo     -4.410316     -4.356907      3.156084
  N      -2.758632     -5.204173      3.939873
  C      -1.974276     -6.102313      3.099194
  C      -2.951994     -7.016676      2.389559
  H      -1.289045     -6.712844      3.707403
  H      -1.358036     -5.536794      2.375376
  H      -3.478610     -7.616590      3.145914
  H      -2.443530     -7.692832      1.682300
  H      -7.010437     -7.394133      2.473176
  H      -5.540214     -7.554447      3.474584
  H      -5.751627     -6.458059      0.617090
  H      -4.944582     -7.988805      1.077731
  H      -3.450496     -3.665790     -0.544973
  H      -4.940879     -4.112910      0.284694
  H      -2.318619     -5.700820      0.415031
  H      -3.780865     -6.227945     -0.455024
  C      -2.307698     -2.743322      1.610330
  C      -1.416148     -2.722992      0.505267
  C      -0.271270     -1.947905      0.483704
  C      -0.001270     -1.146256      1.594116
  F       1.127625     -0.389783      1.590588
  C      -0.831920     -1.104674      2.688144
  C      -2.006294     -1.892181      2.740932
  C      -2.901004     -1.824671      3.872564
  O      -3.889568     -2.685334      3.971150
  C      -2.864152     -0.880317      4.967147
  F      -3.963081     -1.048708      5.775691
  S      -1.795594      0.284440      5.413510
  C      -7.271128     -5.181384      3.739828
  C      -7.991931     -6.112452      4.528770
  C      -9.088134     -5.730130      5.280029
  C      -9.502233     -4.394524      5.243714
  F     -10.548353     -4.018786      6.020578
  C      -8.881903     -3.458209      4.447172
  C      -7.773828     -3.835313      3.661162
  C      -7.172416     -2.935768      2.697082
  O      -5.960912     -3.072009      2.327422
  C      -7.934363     -1.882242      2.003396
  F      -7.092749     -1.080595      1.293900
  S      -9.543378     -1.627665      1.904627
  C      -2.155332     -4.700212      5.086652
  C      -0.749119     -4.602911      5.174091
  C      -0.126242     -3.978301      6.245828
  C      -0.919022     -3.447213      7.261630
  F      -0.318406     -2.792329      8.285374
  C      -2.294140     -3.565486      7.253460
  C      -2.939737     -4.215770      6.184941
  C      -4.379241     -4.456674      6.218759
  O      -5.073737     -4.619581      5.144767
  C      -5.109580     -4.653477      7.462131
  F      -6.460921     -4.648813      7.236391
  S      -4.570833     -4.982706      8.976880
  H      -1.601467     -3.366782     -0.351502
  H       0.411224     -1.966569     -0.365991
  H      -0.589865     -0.457951      3.530163
  H      -7.635437     -7.138921      4.600292
  H      -9.607061     -6.439405      5.925606
  H      -9.246029     -2.433956      4.435709
  H      -0.134649     -4.958650      4.348905
  H       0.957177     -3.862978      6.280629
  H      -2.873824     -3.138395      8.067588
  N      -4.355593     -7.884535      5.624086
  H      -3.498399     -7.416936      5.932131
  H      -4.479996     -8.682054      6.253321
  H      -5.110297     -7.230044      5.848716
  N      -8.534920     -5.609530      0.579857
  N      -9.256991     -4.881375      0.174334
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.436097773317
  N      -3.403200     -3.581752      1.596352
  C      -3.843121     -4.184100      0.338507
  C      -3.413879     -5.637515      0.398589
  N      -3.956666     -6.193653      1.669854
  C      -5.193650     -6.968965      1.415027
  C      -6.018720     -6.957745      2.677091
  N      -6.148319     -5.551544      3.043327
  Mo     -4.409660     -4.356236      3.156662
  N      -2.757897     -5.203291      3.940525
  C      -1.973121     -6.100830      3.099547
  C      -2.950406     -7.015631      2.389878
  H      -1.287354     -6.711016      3.707537
  H      -1.357212     -5.534723      2.375911
  H      -3.476760     -7.616279      3.145821
  H      -2.441466     -7.691449      1.682595
  H      -7.009127     -7.393387      2.474127
  H      -5.539084     -7.553116      3.476085
  H      -5.750494     -6.458579      0.617788
  H      -4.943234     -7.988978      1.079303
  H      -3.450539     -3.665145     -0.544716
  H      -4.940633     -4.112142      0.284870
  H      -2.318133     -5.700142      0.414570
  H      -3.781047     -6.226842     -0.454685
  C      -2.307300     -2.742791      1.610019
  C      -1.417366     -2.721119      0.503786
  C      -0.272591     -1.945789      0.481696
  C      -0.001256     -1.145460      1.592631
  F       1.127430     -0.388576      1.588608
  C      -0.830307     -1.105432      2.687963
  C      -2.004592     -1.893141      2.741449
  C      -2.897698     -1.826331      3.874386
  O      -3.888463     -2.684628      3.972029
  C      -2.857181     -0.884375      4.970818
  F      -3.959149     -1.046744      5.776366
  S      -1.782526      0.273323      5.421374
  C      -7.270243     -5.180383      3.739553
  C      -7.990944     -6.111428      4.528674
  C      -9.087788     -5.729071      5.278961
  C      -9.502512     -4.393719      5.241526
  F     -10.549344     -4.018020      6.017491
  C      -8.882184     -3.457564      4.444820
  C      -7.773413     -3.834592      3.659761
  C      -7.171673     -2.935224      2.695591
  O      -5.959682     -3.070340      2.327189
  C      -7.934173     -1.882924      2.000784
  F      -7.093348     -1.084238      1.287107
  S      -9.543843     -1.634887      1.895063
  C      -2.154891     -4.699507      5.087619
  C      -0.748772     -4.600944      5.174785
  C      -0.126218     -3.976717      6.246946
  C      -0.919175     -3.447242      7.263399
  F      -0.318916     -2.792729      8.287565
  C      -2.294227     -3.566517      7.255316
  C      -2.939513     -4.216361      6.186340
  C      -4.379056     -4.457511      6.219769
  O      -5.073373     -4.619338      5.145642
  C      -5.109631     -4.655776      7.462887
  F      -6.460965     -4.649363      7.237225
  S      -4.571667     -4.983346      8.978353
  H      -1.603491     -3.364149     -0.353380
  H       0.408718     -1.963118     -0.368987
  H      -0.587079     -0.460030      3.530661
  H      -7.633938     -7.137646      4.600994
  H      -9.606804     -6.438219      5.924611
  H      -9.246798     -2.433480      4.432551
  H      -0.134077     -4.955277      4.349164
  H       0.957084     -3.860247      6.281585
  H      -2.874137     -3.140528      8.069843
  N      -4.362855     -7.884626      5.621225
  H      -3.504924     -7.413637      5.921509
  H      -4.478744     -8.682246      6.251784
  H      -5.118076     -7.233051      5.852040
  N      -8.544791     -5.610823      0.585249
  N      -9.279893     -4.894467      0.182101
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.436100314945
  N      -3.403723     -3.581393      1.596210
  C      -3.843685     -4.183865      0.338427
  C      -3.414250     -5.637249      0.398393
  N      -3.956885     -6.193510      1.669641
  C      -5.193827     -6.968845      1.414923
  C      -6.018753     -6.957894      2.677116
  N      -6.148610     -5.551672      3.043326
  Mo     -4.409865     -4.355996      3.156586
  N      -2.757884     -5.203031      3.940224
  C      -1.973195     -6.100537      3.099092
  C      -2.950518     -7.015419      2.389601
  H      -1.287219     -6.710672      3.706882
  H      -1.357508     -5.534382      2.375317
  H      -3.476825     -7.615984      3.145648
  H      -2.441616     -7.691333      1.682383
  H      -7.009111     -7.393657      2.474133
  H      -5.539033     -7.553179      3.476108
  H      -5.750883     -6.458337      0.617912
  H      -4.943423     -7.988780      1.078937
  H      -3.451245     -3.664917     -0.544845
  H      -4.941230     -4.112118      0.285098
  H      -2.318496     -5.699712      0.414314
  H      -3.781288     -6.226615     -0.454916
  C      -2.307387     -2.742905      1.610102
  C      -1.417212     -2.721647      0.504030
  C      -0.271886     -1.947137      0.482209
  C      -0.000186     -1.147205      1.593340
  F       1.129121     -0.391265      1.589751
  C      -0.829554     -1.106599      2.688416
  C      -2.004484     -1.893321      2.741526
  C      -2.897973     -1.825996      3.874182
  O      -3.888484     -2.684573      3.972004
  C      -2.858169     -0.883541      4.970182
  F      -3.959078     -1.047563      5.776776
  S      -1.785279      0.276498      5.418964
  C      -7.270593     -5.180718      3.739558
  C      -7.991225     -6.111869      4.528610
  C      -9.088473     -5.729835      5.278495
  C      -9.503816     -4.394689      5.240573
  F     -10.551275     -4.019318      6.015849
  C      -8.883493     -3.458412      4.444000
  C      -7.774097     -3.835058      3.659679
  C      -7.172186     -2.935508      2.695914
  O      -5.960054     -3.070558      2.327914
  C      -7.934450     -1.882860      2.001462
  F      -7.093243     -1.080793      1.292028
  S      -9.543893     -1.631774      1.899713
  C      -2.154744     -4.699327      5.087246
  C      -0.748609     -4.600679      5.174201
  C      -0.125966     -3.976002      6.246023
  C      -0.918869     -3.445936      7.262223
  F      -0.318514     -2.790685      8.285873
  C      -2.293909     -3.565248      7.254365
  C      -2.939302     -4.215946      6.185940
  C      -4.378833     -4.457245      6.219594
  O      -5.073203     -4.619252      5.145489
  C      -5.109517     -4.655764      7.462623
  F      -6.460807     -4.648978      7.236825
  S      -4.571835     -4.985188      8.977816
  H      -1.603763     -3.364355     -0.353278
  H       0.409559     -1.964869     -0.368356
  H      -0.586068     -0.461272      3.531083
  H      -7.633927     -7.137970      4.601155
  H      -9.607447     -6.439122      5.924021
  H      -9.248645     -2.434501      4.431214
  H      -0.134052     -4.955157      4.348542
  H       0.957328     -3.859396      6.280490
  H      -2.873712     -3.138616      8.068598
  N      -4.363118     -7.886032      5.623059
  H      -3.504350     -7.416154      5.922819
  H      -4.479357     -8.683352      6.253972
  H      -5.117149     -7.233419      5.854966
  N      -8.540087     -5.609956      0.585024
  N      -9.274739     -4.893243      0.181696
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670619-YhVy/orca E -7653.436100630125
  N      -3.404181     -3.580877      1.595985
  C      -3.844184     -4.183480      0.338277
  C      -3.414565     -5.636822      0.398159
  N      -3.957030     -6.193143      1.669444
  C      -5.193920     -6.968576      1.414842
  C      -6.018681     -6.957870      2.677171
  N      -6.148828     -5.551630      3.043311
  Mo     -4.410047     -4.355606      3.156432
  N      -2.757822     -5.202619      3.939927
  C      -1.973202     -6.100094      3.098688
  C      -2.950548     -7.015007      2.389305
  H      -1.287114     -6.710231      3.706349
  H      -1.357618     -5.533931      2.374835
  H      -3.476818     -7.615568      3.145373
  H      -2.441675     -7.690947      1.682088
  H      -7.008969     -7.393822      2.474220
  H      -5.538833     -7.553010      3.476185
  H      -5.751167     -6.457999      0.618015
  H      -4.943455     -7.988433      1.078652
  H      -3.451948     -3.664535     -0.545080
  H      -4.941762     -4.111899      0.285184
  H      -2.318803     -5.699135      0.413983
  H      -3.781573     -6.226230     -0.455134
  C      -2.307517     -2.742735      1.609963
  C      -1.417122     -2.721858      0.504050
  C      -0.271440     -1.947864      0.482405
  C       0.000405     -1.148054      1.593583
  F       1.130086     -0.392681      1.590263
  C      -0.829236     -1.106974      2.688447
  C      -2.004531     -1.893108      2.741314
  C      -2.898347     -1.825333      3.873717
  O      -3.888486     -2.684304      3.971838
  C      -2.859204     -0.882155      4.969093
  F      -3.958949     -1.047683      5.776925
  S      -1.787693      0.279837      5.416161
  C      -7.270787     -5.180884      3.739629
  C      -7.991110     -6.112102      4.528887
  C      -9.088349     -5.730261      5.278885
  C      -9.503969     -4.395203      5.240917
  F     -10.551365     -4.019970      6.016347
  C      -8.883920     -3.458843      4.444218
  C      -7.774599     -3.835319      3.659714
  C      -7.172700     -2.935694      2.696018
  O      -5.960432     -3.070713      2.328369
  C      -7.934781     -1.883280      2.001048
  F      -7.093317     -1.080944      1.292223
  S      -9.544184     -1.632052      1.898859
  C      -2.154692     -4.699212      5.087051
  C      -0.748531     -4.601033      5.174279
  C      -0.125858     -3.977058      6.246485
  C      -0.918755     -3.447380      7.262911
  F      -0.318326     -2.793050      8.287109
  C      -2.293820     -3.566267      7.254785
  C      -2.939264     -4.215979      6.185793
  C      -4.378794     -4.456876      6.219335
  O      -5.073237     -4.618817      5.145243
  C      -5.109508     -4.654670      7.462433
  F      -6.460785     -4.648276      7.236630
  S      -4.571604     -4.984342      8.977480
  H      -1.603868     -3.364440     -0.353305
  H       0.410146     -1.965946     -0.368036
  H      -0.585670     -0.461542      3.531009
  H      -7.633519     -7.138095      4.601540
  H      -9.607027     -6.439608      5.924582
  H      -9.249212     -2.434997      4.431484
  H      -0.133966     -4.955412      4.348583
  H       0.957469     -3.860865      6.281261
  H      -2.873627     -3.140100      8.069291
  N      -4.363142     -7.885728      5.623827
  H      -3.503867     -7.416015      5.922698
  H      -4.478679     -8.682927      6.255155
  H      -5.116732     -7.232906      5.856887
  N      -8.537717     -5.609021      0.584402
  N      -9.273204     -4.893206      0.181008
