69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7243.726593111574
  N      -3.058031     -3.540972      1.980329
  C      -3.053206     -4.156717      0.661078
  C      -2.548582     -5.578624      0.884528
  N      -3.346480     -6.116489      2.011967
  C      -4.353665     -7.060954      1.490834
  C      -5.472921     -7.138085      2.514549
  N      -5.779898     -5.750741      2.818368
  Mo     -4.352782     -4.343813      3.200587
  N      -2.876314     -4.931319      4.364055
  C      -1.811247     -5.801244      3.879376
  C      -2.468992     -6.825930      2.967843
  H      -1.313191     -6.315656      4.708163
  H      -1.061640     -5.207407      3.334636
  H      -3.075296     -7.494736      3.585505
  H      -1.722795     -7.425110      2.434915
  H      -6.340308     -7.649796      2.084440
  H      -5.163665     -7.681966      3.418845
  H      -4.768519     -6.657742      0.561268
  H      -3.906132     -8.040689      1.292477
  H      -2.445258     -3.600882     -0.056752
  H      -4.085548     -4.168270      0.280371
  H      -1.490709     -5.548877      1.156917
  H      -2.658398     -6.197407     -0.009319
  C      -2.066701     -2.624378      2.243187
  C      -0.832695     -2.620448      1.568380
  C       0.152471     -1.707193      1.872296
  C      -0.046292     -0.749240      2.863779
  C      -1.247717     -0.700987      3.530340
  C      -2.272295     -1.611084      3.230247
  C      -3.556973     -1.550723      3.874982
  O      -4.238920     -2.632340      4.003828
  C      -4.173838     -0.353705      4.335772
  F      -5.363574     -0.604678      4.954619
  S      -3.735903      1.211282      4.120912
  C      -7.070255     -5.493593      3.189647
  C      -7.858914     -6.466126      3.834417
  C      -9.140916     -6.192344      4.247264
  C      -9.712876     -4.942588      4.011085
  C      -8.993979     -3.980539      3.343080
  C      -7.684806     -4.230078      2.905005
  C      -6.929821     -3.297353      2.104947
  O      -5.658576     -3.395497      2.093997
  C      -7.484308     -2.283536      1.254873
  F      -8.826704     -2.210740      1.145778
  S      -6.556795     -1.240751      0.391476
  C      -2.599086     -4.251363      5.529889
  C      -1.279421     -3.988031      5.937279
  C      -1.007707     -3.222415      7.048395
  C      -2.044066     -2.697478      7.817546
  C      -3.346538     -2.978180      7.483220
  C      -3.661276     -3.772288      6.367735
  C      -5.015386     -4.181492      6.085149
  O      -5.335986     -4.587677      4.908901
  C      -6.055083     -4.256897      7.064301
  F      -7.248713     -4.582763      6.496908
  S      -6.016474     -4.097251      8.697543
  H      -0.618316     -3.364986      0.819089
  H       1.095505     -1.753117      1.349715
  H       0.739438     -0.057612      3.119598
  H      -1.394800      0.009911      4.327469
  H      -7.427335     -7.423141      4.079707
  H      -9.700868     -6.945603      4.779667
  H     -10.711039     -4.727739      4.357310
  H      -9.434258     -3.011236      3.175226
  H      -0.452071     -4.329548      5.338238
  H       0.016784     -3.004049      7.305478
  H      -1.829146     -2.068722      8.666092
  H      -4.150552     -2.561821      8.066407
  N      -4.497078     -4.739677      1.112677
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7243.777355667356
  N      -3.042014     -3.522468      1.972949
  C      -3.041000     -4.142972      0.661582
  C      -2.521525     -5.590630      0.885332
  N      -3.326468     -6.148368      2.011110
  C      -4.337245     -7.108569      1.494787
  C      -5.467736     -7.158330      2.509991
  N      -5.801733     -5.761782      2.806901
  Mo     -4.366243     -4.339425      3.188691
  N      -2.871173     -4.940466      4.357875
  C      -1.802478     -5.814390      3.877943
  C      -2.447316     -6.851959      2.976606
  H      -1.305614     -6.320906      4.714707
  H      -1.049810     -5.222962      3.330299
  H      -3.055772     -7.521215      3.594743
  H      -1.691399     -7.453378      2.453351
  H      -6.331418     -7.680841      2.080736
  H      -5.159404     -7.690000      3.425726
  H      -4.749000     -6.724687      0.559843
  H      -3.882220     -8.093666      1.313983
  H      -2.429532     -3.578955     -0.056245
  H      -4.130267     -4.133897      0.241873
  H      -1.460884     -5.555324      1.167364
  H      -2.620754     -6.208304     -0.014102
  C      -2.044512     -2.606340      2.248041
  C      -0.803413     -2.615049      1.579238
  C       0.189850     -1.703802      1.887540
  C      -0.013174     -0.739618      2.878271
  C      -1.226109     -0.682502      3.536594
  C      -2.258078     -1.588271      3.231208
  C      -3.552871     -1.520032      3.866399
  O      -4.245667     -2.609105      3.995036
  C      -4.175428     -0.317923      4.327032
  F      -5.370418     -0.576851      4.939484
  S      -3.737337      1.251771      4.123685
  C      -7.102015     -5.502700      3.177735
  C      -7.888413     -6.482588      3.820452
  C      -9.177053     -6.215242      4.236722
  C      -9.754086     -4.963029      4.006896
  C      -9.034104     -3.991502      3.340842
  C      -7.720696     -4.231940      2.898131
  C      -6.972487     -3.274497      2.104442
  O      -5.695773     -3.362070      2.078733
  C      -7.540655     -2.248401      1.264565
  F      -8.888983     -2.203052      1.178200
  S      -6.644985     -1.180490      0.396175
  C      -2.591988     -4.256523      5.531049
  C      -1.265759     -4.002565      5.931837
  C      -0.979649     -3.232640      7.043894
  C      -2.011132     -2.695545      7.815817
  C      -3.323357     -2.969143      7.484597
  C      -3.652579     -3.766988      6.371619
  C      -5.019543     -4.167445      6.091612
  O      -5.352791     -4.576878      4.910268
  C      -6.068022     -4.237867      7.076804
  F      -7.262704     -4.553386      6.500071
  S      -6.037230     -4.083704      8.711791
  H      -0.589636     -3.369734      0.830238
  H       1.141645     -1.757719      1.369311
  H       0.778865     -0.047812      3.140668
  H      -1.377774      0.035209      4.332694
  H      -7.449683     -7.443951      4.061364
  H      -9.736723     -6.977807      4.768411
  H     -10.758037     -4.751220      4.356922
  H      -9.479131     -3.018004      3.178479
  H      -0.441482     -4.355632      5.324609
  H       0.053941     -3.021061      7.296350
  H      -1.787225     -2.061189      8.665656
  H      -4.124869     -2.542161      8.071484
  N      -4.545164     -4.722748      1.081424
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7243.812981636711
  N      -3.021430     -3.507733      1.966610
  C      -3.026719     -4.138051      0.671794
  C      -2.498110     -5.600405      0.893298
  N      -3.306836     -6.173095      2.011224
  C      -4.321985     -7.139313      1.498567
  C      -5.465040     -7.169946      2.501695
  N      -5.824937     -5.772323      2.792536
  Mo     -4.379627     -4.335932      3.176252
  N      -2.862456     -4.950604      4.352545
  C      -1.791935     -5.824976      3.875937
  C      -2.427685     -6.870796      2.982372
  H      -1.295691     -6.324181      4.719261
  H      -1.036534     -5.236616      3.325699
  H      -3.039313     -7.540721      3.598880
  H      -1.664396     -7.473617      2.466774
  H      -6.324901     -7.700158      2.070630
  H      -5.159913     -7.692296      3.426319
  H      -4.726484     -6.766165      0.556844
  H      -3.861994     -8.127191      1.333105
  H      -2.417737     -3.567285     -0.048554
  H      -4.172496     -4.108583      0.209646
  H      -1.437652     -5.560826      1.184032
  H      -2.588907     -6.215174     -0.011181
  C      -2.020313     -2.595214      2.253291
  C      -0.773464     -2.620360      1.591807
  C       0.227458     -1.712288      1.903287
  C       0.020150     -0.740621      2.890383
  C      -1.202653     -0.672021      3.539120
  C      -2.241949     -1.571859      3.230589
  C      -3.542939     -1.491425      3.857664
  O      -4.250038     -2.582211      3.989729
  C      -4.163411     -0.282936      4.317257
  F      -5.362975     -0.542173      4.926481
  S      -3.714809      1.287117      4.122299
  C      -7.130946     -5.513843      3.161122
  C      -7.910884     -6.504702      3.797331
  C      -9.204596     -6.249131      4.219473
  C      -9.788533     -4.995717      4.002824
  C      -9.070953     -4.011837      3.342906
  C      -7.754620     -4.237582      2.892596
  C      -7.019188     -3.251195      2.109918
  O      -5.740049     -3.320230      2.061834
  C      -7.605284     -2.210725      1.285200
  F      -8.958987     -2.197991      1.225467
  S      -6.749733     -1.112674      0.418303
  C      -2.586316     -4.261089      5.531391
  C      -1.256769     -4.012948      5.929316
  C      -0.962283     -3.237327      7.041521
  C      -1.991966     -2.690272      7.811464
  C      -3.310349     -2.959615      7.478975
  C      -3.647097     -3.761423      6.369533
  C      -5.023193     -4.150308      6.093341
  O      -5.372848     -4.565020      4.912000
  C      -6.073855     -4.208171      7.087930
  F      -7.273268     -4.512403      6.509982
  S      -6.036335     -4.049385      8.722100
  H      -0.562468     -3.385511      0.846793
  H       1.186266     -1.775930      1.391344
  H       0.817029     -0.050200      3.158093
  H      -1.358386      0.053642      4.331372
  H      -7.462593     -7.468110      4.028302
  H      -9.760098     -7.023237      4.746641
  H     -10.795965     -4.790276      4.358172
  H      -9.522496     -3.036478      3.191750
  H      -0.434704     -4.375696      5.318596
  H       0.076908     -3.030720      7.291934
  H      -1.764679     -2.050492      8.661261
  H      -4.112179     -2.524457      8.065611
  N      -4.588294     -4.712208      1.047840
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7243.837871462963
  N      -3.001077     -3.497061      1.962286
  C      -3.014136     -4.139504      0.687781
  C      -2.480247     -5.608524      0.904030
  N      -3.287760     -6.193535      2.012520
  C      -4.307357     -7.161456      1.505776
  C      -5.462624     -7.173960      2.495602
  N      -5.844386     -5.778943      2.778110
  Mo     -4.391453     -4.330657      3.162723
  N      -2.854229     -4.956258      4.345804
  C      -1.782062     -5.828389      3.873326
  C      -2.410009     -6.882930      2.988324
  H      -1.285752     -6.318636      4.722972
  H      -1.024290     -5.244024      3.320225
  H      -3.024313     -7.552122      3.604369
  H      -1.641114     -7.487406      2.480254
  H      -6.318058     -7.711579      2.062624
  H      -5.163290     -7.687195      3.428777
  H      -4.701304     -6.797396      0.555992
  H      -3.846173     -8.152503      1.357721
  H      -2.413084     -3.565246     -0.039700
  H      -4.215476     -4.083857      0.185172
  H      -1.420447     -5.565487      1.199949
  H      -2.565628     -6.219127     -0.005004
  C      -1.998421     -2.591153      2.259328
  C      -0.746783     -2.632752      1.606541
  C       0.259434     -1.728438      1.920466
  C       0.047859     -0.749615      2.901546
  C      -1.182107     -0.668831      3.539549
  C      -2.227731     -1.562370      3.229222
  C      -3.532345     -1.469327      3.848774
  O      -4.253937     -2.555674      3.985871
  C      -4.146268     -0.254618      4.307130
  F      -5.349119     -0.508570      4.914866
  S      -3.682600      1.312801      4.119329
  C      -7.151738     -5.522905      3.143516
  C      -7.924620     -6.525384      3.771468
  C      -9.220683     -6.283404      4.199754
  C      -9.811475     -5.029804      3.999378
  C      -9.098785     -4.034210      3.348324
  C      -7.780820     -4.243314      2.889431
  C      -7.061014     -3.229316      2.121869
  O      -5.783055     -3.274095      2.048832
  C      -7.668498     -2.175552      1.314609
  F      -9.025816     -2.194794      1.277586
  S      -6.853339     -1.048315      0.455491
  C      -2.583644     -4.263116      5.528032
  C      -1.252700     -4.020080      5.925419
  C      -0.952777     -3.240953      7.037029
  C      -1.980888     -2.685294      7.803161
  C      -3.302278     -2.949776      7.467906
  C      -3.644231     -3.754806      6.362200
  C      -5.026202     -4.131319      6.088785
  O      -5.390489     -4.549736      4.910848
  C      -6.078930     -4.179167      7.088893
  F      -7.280689     -4.472199      6.507041
  S      -6.039114     -4.021311      8.722154
  H      -0.538862     -3.407358      0.867803
  H       1.223648     -1.801613      1.416110
  H       0.847843     -0.061270      3.173427
  H      -1.341170      0.065397      4.325182
  H      -7.467278     -7.489182      3.990241
  H      -9.770201     -7.068872      4.720348
  H     -10.820293     -4.831750      4.360522
  H      -9.557373     -3.058813      3.211348
  H      -0.432689     -4.390675      5.313733
  H       0.089701     -3.039696      7.286648
  H      -1.752450     -2.041948      8.652568
  H      -4.103662     -2.507695      8.052656
  N      -4.626572     -4.696572      1.013863
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7243.856366692137
  N      -2.982024     -3.491844      1.959578
  C      -3.002681     -4.149087      0.705034
  C      -2.466490     -5.617158      0.913583
  N      -3.269790     -6.210836      2.013140
  C      -4.294814     -7.175998      1.513363
  C      -5.460562     -7.172841      2.490730
  N      -5.859098     -5.782435      2.764316
  Mo     -4.400706     -4.325069      3.147684
  N      -2.846959     -4.957124      4.337276
  C      -1.772556     -5.825431      3.868924
  C      -2.394237     -6.889792      2.993321
  H      -1.275117     -6.305766      4.724202
  H      -1.013085     -5.245603      3.312421
  H      -3.010188     -7.556725      3.610985
  H      -1.621433     -7.496502      2.492309
  H      -6.311175     -7.717592      2.055665
  H      -5.168348     -7.678446      3.431395
  H      -4.675928     -6.818718      0.555167
  H      -3.836932     -8.171193      1.382906
  H      -2.415148     -3.574997     -0.035277
  H      -4.258887     -4.062460      0.164938
  H      -1.406925     -5.572086      1.211106
  H      -2.549572     -6.222629      0.000276
  C      -1.979005     -2.593359      2.265797
  C      -0.722720     -2.649640      1.622640
  C       0.286654     -1.748923      1.938935
  C       0.070700     -0.763487      2.913033
  C      -1.164669     -0.671059      3.539747
  C      -2.215422     -1.558885      3.227733
  C      -3.522642     -1.454726      3.839903
  O      -4.257701     -2.533028      3.981904
  C      -4.128020     -0.233798      4.297454
  F      -5.333531     -0.479214      4.903849
  S      -3.648063      1.329613      4.116775
  C      -7.165085     -5.530236      3.126785
  C      -7.932824     -6.544281      3.745264
  C      -9.229089     -6.315561      4.179534
  C      -9.825695     -5.061509      3.997586
  C      -9.118600     -4.055403      3.357371
  C      -7.799749     -4.248272      2.889415
  C      -7.096002     -3.209690      2.139394
  O      -5.821498     -3.227536      2.041956
  C      -7.727282     -2.144101      1.350485
  F      -9.086489     -2.192290      1.329359
  S      -6.948577     -0.989615      0.504439
  C      -2.583184     -4.262171      5.521670
  C      -1.252059     -4.021990      5.921411
  C      -0.950315     -3.241116      7.032528
  C      -1.978157     -2.679352      7.794081
  C      -3.299988     -2.940009      7.454534
  C      -3.643684     -3.747467      6.351363
  C      -5.028383     -4.112603      6.079030
  O      -5.403618     -4.533248      4.905421
  C      -6.081851     -4.152164      7.083361
  F      -7.286255     -4.433823      6.499664
  S      -6.039097     -3.996698      8.715667
  H      -0.517339     -3.432502      0.891067
  H       1.255334     -1.830623      1.442849
  H       0.872486     -0.077305      3.188564
  H      -1.326742      0.071788      4.317423
  H      -7.468372     -7.508136      3.950688
  H      -9.772525     -7.111640      4.692124
  H     -10.834475     -4.870637      4.364877
  H      -9.583650     -3.080685      3.236548
  H      -0.432703     -4.397410      5.310832
  H       0.093678     -3.044168      7.282900
  H      -1.750946     -2.033991      8.643435
  H      -4.101685     -2.493442      8.036700
  N      -4.655944     -4.678516      0.979292
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7243.871391935615
  N      -2.965067     -3.491424      1.957936
  C      -2.992127     -4.165146      0.720318
  C      -2.455297     -5.626467      0.920399
  N      -3.253438     -6.225656      2.012948
  C      -4.284544     -7.185355      1.520310
  C      -5.458473     -7.169194      2.487148
  N      -5.869125     -5.783652      2.752029
  Mo     -4.406968     -4.319908      3.131479
  N      -2.841057     -4.953542      4.328153
  C      -1.763649     -5.817481      3.863792
  C      -2.380405     -6.892648      2.998151
  H      -1.264289     -6.287646      4.723924
  H      -1.003243     -5.242286      3.303493
  H      -2.996929     -7.555992      3.619570
  H      -1.604889     -7.502137      2.503898
  H      -6.304043     -7.721040      2.050136
  H      -5.173287     -7.668734      3.433962
  H      -4.652106     -6.833471      0.554195
  H      -3.833471     -8.185643      1.406698
  H      -2.422509     -3.594111     -0.036869
  H      -4.300804     -4.043095      0.145084
  H      -1.395409     -5.581035      1.217126
  H      -2.538088     -6.226333      0.003055
  C      -1.962304     -2.599933      2.271820
  C      -0.701754     -2.668448      1.637849
  C       0.309437     -1.770997      1.956339
  C       0.089661     -0.779632      2.923769
  C      -1.149803     -0.676691      3.539858
  C      -2.204641     -1.559695      3.226096
  C      -3.514099     -1.446439      3.831218
  O      -4.261123     -2.515222      3.977066
  C      -4.110608     -0.219382      4.288463
  F      -5.318503     -0.455333      4.892913
  S      -3.615528      1.339798      4.114785
  C      -7.172351     -5.535793      3.112587
  C      -7.937516     -6.560405      3.721230
  C      -9.232530     -6.343091      4.161341
  C      -9.833455     -5.087855      3.998705
  C      -9.131412     -4.072831      3.369986
  C      -7.812295     -4.251690      2.892851
  C      -7.123543     -3.192293      2.160889
  O      -5.853706     -3.183351      2.041592
  C      -7.779515     -2.116474      1.390630
  F      -9.139115     -2.190309      1.378329
  S      -7.031515     -0.936685      0.561173
  C      -2.584466     -4.258375      5.514112
  C      -1.253786     -4.019004      5.918028
  C      -0.952822     -3.237614      7.028950
  C      -1.981546     -2.671903      7.785989
  C      -3.302366     -2.930155      7.441519
  C      -3.645316     -3.739778      6.339709
  C      -5.030684     -4.096310      6.066032
  O      -5.411812     -4.517666      4.895658
  C      -6.085724     -4.131567      7.071847
  F      -7.291343     -4.403487      6.485124
  S      -6.043557     -3.982622      8.703927
  H      -0.498733     -3.458202      0.913070
  H       1.281718     -1.859924      1.468127
  H       0.892541     -0.095550      3.202398
  H      -1.314364      0.074185      4.309444
  H      -7.468389     -7.524679      3.913176
  H      -9.770739     -7.148485      4.665410
  H     -10.841206     -4.903210      4.372433
  H      -9.601404     -3.098734      3.265993
  H      -0.433752     -4.396509      5.309581
  H       0.091565     -3.043598      7.281023
  H      -1.756962     -2.025421      8.635518
  H      -4.104944     -2.481097      8.020801
  N      -4.673911     -4.658786      0.944133
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7243.884614490497
  N      -2.950999     -3.494638      1.956611
  C      -2.983152     -4.185384      0.732004
  C      -2.445662     -5.636201      0.924582
  N      -3.239066     -6.238444      2.012306
  C      -4.276138     -7.191550      1.526210
  C      -5.456147     -7.164816      2.484434
  N      -5.875157     -5.783400      2.741199
  Mo     -4.410511     -4.315602      3.114515
  N      -2.836772     -4.946364      4.319379
  C      -1.755811     -5.806035      3.858765
  C      -2.368610     -6.892518      3.003477
  H      -1.254053     -6.266285      4.722993
  H      -0.995216     -5.235282      3.294384
  H      -2.984851     -7.551286      3.630265
  H      -1.591082     -7.505097      2.515827
  H      -6.296678     -7.723577      2.045719
  H      -5.177302     -7.659597      3.436135
  H      -4.630389     -6.844203      0.553006
  H      -3.833941     -8.197382      1.428099
  H      -2.434051     -3.619065     -0.043573
  H      -4.339187     -4.023004      0.122099
  H      -1.385174     -5.591937      1.219688
  H      -2.528774     -6.230629      0.003590
  C      -1.948680     -2.609441      2.276444
  C      -0.684530     -2.687676      1.650149
  C       0.327853     -1.793370      1.970639
  C       0.105460     -0.797041      2.932681
  C      -1.136964     -0.684874      3.539675
  C      -2.195195     -1.563696      3.224085
  C      -3.506520     -1.443081      3.822803
  O      -4.264015     -2.502138      3.971070
  C      -4.094451     -0.210131      4.280479
  F      -5.304487     -0.437047      4.882483
  S      -3.586066      1.345019      4.113741
  C      -7.175268     -5.539942      3.100971
  C      -7.939826     -6.573886      3.699626
  C      -9.232830     -6.365979      4.145517
  C      -9.836705     -5.108994      4.002563
  C      -9.138727     -4.086326      3.385383
  C      -7.819930     -4.253761      2.899155
  C      -7.144213     -3.176841      2.185059
  O      -5.879501     -3.143287      2.047407
  C      -7.823630     -2.091757      1.433734
  F      -9.182415     -2.187723      1.423516
  S      -7.099516     -0.888304      0.623803
  C      -2.587126     -4.252132      5.506648
  C      -1.257406     -4.011671      5.915795
  C      -0.959411     -3.230454      7.027037
  C      -1.990188     -2.663052      7.779940
  C      -3.309158     -2.920775      7.430197
  C      -3.648871     -3.732162      6.328601
  C      -5.033325     -4.083412      6.051232
  O      -5.415467     -4.504313      4.882274
  C      -6.090575     -4.117772      7.056308
  F      -7.296486     -4.381573      6.465923
  S      -6.050929     -3.977040      8.688663
  H      -0.484078     -3.482826      0.930955
  H       1.302877     -1.888247      1.489153
  H       0.909298     -0.115187      3.213909
  H      -1.303187      0.072871      4.302049
  H      -7.468111     -7.539127      3.878279
  H      -9.766881     -7.179489      4.640905
  H     -10.842800     -4.929714      4.382996
  H      -9.611886     -3.112448      3.298327
  H      -0.435497     -4.388825      5.309944
  H       0.084576     -3.037691      7.281566
  H      -1.769283     -2.016006      8.629908
  H      -4.113597     -2.471375      8.006570
  N      -4.681046     -4.638245      0.908553
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7243.896882787792
  N      -2.940216     -3.500315      1.955002
  C      -2.976766     -4.207968      0.739698
  C      -2.437224     -5.646247      0.926945
  N      -3.226754     -6.249497      2.011929
  C      -4.269082     -7.195950      1.531409
  C      -5.453514     -7.160494      2.482403
  N      -5.877861     -5.782051      2.731514
  Mo     -4.411722     -4.312105      3.097312
  N      -2.834215     -4.936257      4.311851
  C      -1.749416     -5.792042      3.854775
  C      -2.358843     -6.889940      3.010100
  H      -1.245050     -6.242816      4.722494
  H      -0.989241     -5.225434      3.286131
  H      -2.974303     -7.543384      3.643293
  H      -1.579665     -7.505783      2.529084
  H      -6.289210     -7.725762      2.042247
  H      -5.180415     -7.651357      3.438091
  H      -4.610636     -6.852629      0.551881
  H      -3.836668     -8.207325      1.447381
  H      -2.449385     -3.647124     -0.054123
  H      -4.372465     -4.000048      0.094611
  H      -1.376155     -5.604170      1.220492
  H      -2.520462     -6.236047      0.002964
  C      -1.938204     -2.620847      2.278867
  C      -0.671293     -2.706518      1.658067
  C       0.342115     -1.815428      1.980194
  C       0.118751     -0.815214      2.938567
  C      -1.125492     -0.695025      3.538532
  C      -2.186812     -1.570038      3.221302
  C      -3.499351     -1.443325      3.814715
  O      -4.266075     -2.493002      3.964033
  C      -4.079007     -0.204819      4.273928
  F      -5.290799     -0.423687      4.873449
  S      -3.558934      1.346508      4.114149
  C      -7.175260     -5.542956      3.091429
  C      -7.940375     -6.585090      3.679936
  C      -9.231174     -6.384960      4.131477
  C      -9.836915     -5.126030      4.008237
  C      -9.141916     -4.096569      3.402463
  C      -7.823962     -4.254899      2.907565
  C      -7.158915     -3.163000      2.211193
  O      -5.899160     -3.108199      2.059063
  C      -7.858984     -2.068944      1.479381
  F      -9.216092     -2.183472      1.465728
  S      -7.152086     -0.842922      0.691899
  C      -2.590915     -4.243699      5.500336
  C      -1.262563     -4.000717      5.914987
  C      -0.969070     -3.219919      7.026982
  C      -2.002736     -2.652637      7.776129
  C      -3.319491     -2.911600      7.421153
  C      -3.654037     -3.724549      6.319079
  C      -5.036461     -4.073970      6.035830
  O      -5.415091     -4.493504      4.866367
  C      -6.097064     -4.111058      7.037671
  F      -7.301860     -4.368998      6.442079
  S      -6.062425     -3.980528      8.670759
  H      -0.473839     -3.505597      0.942921
  H       1.319002     -1.915132      1.503826
  H       0.923793     -0.135883      3.221811
  H      -1.292313      0.068250      4.295037
  H      -7.467662     -7.551768      3.845575
  H      -9.762066     -7.205653      4.618056
  H     -10.841034     -4.951568      4.395431
  H      -9.616571     -3.122423      3.332062
  H      -0.437969     -4.375712      5.311809
  H       0.073989     -3.026859      7.284413
  H      -1.786086     -2.005216      8.626608
  H      -4.126593     -2.463579      7.994643
  N      -4.679169     -4.617744      0.873210
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7243.908631053943
  N      -2.932760     -3.507511      1.952714
  C      -2.973905     -4.231506      0.743487
  C      -2.429958     -5.656540      0.927962
  N      -3.216481     -6.259035      2.012185
  C      -4.263081     -7.199414      1.536087
  C      -5.450639     -7.156590      2.480756
  N      -5.877823     -5.779832      2.722583
  Mo     -4.410944     -4.309283      3.080296
  N      -2.833333     -4.923856      4.306099
  C      -1.744649     -5.776268      3.852311
  C      -2.351063     -6.885336      3.018331
  H      -1.237605     -6.218158      4.722999
  H      -0.985341     -5.213492      3.279289
  H      -2.965560     -7.532896      3.658463
  H      -1.570405     -7.504544      2.544054
  H      -6.281846     -7.727777      2.039386
  H      -5.182920     -7.644050      3.439854
  H      -4.592743     -6.859806      0.550888
  H      -3.840538     -8.216041      1.464709
  H      -2.468711     -3.676266     -0.067694
  H      -4.400252     -3.973604      0.063705
  H      -1.368438     -5.617019      1.220142
  H      -2.512946     -6.242957      0.001833
  C      -1.930687     -2.633334      2.278555
  C      -0.661973     -2.724373      1.660629
  C       0.352604     -1.836731      1.983909
  C       0.130222     -0.833873      2.940661
  C      -1.114643     -0.706804      3.536047
  C      -2.179114     -1.578106      3.217544
  C      -3.491972     -1.446223      3.807191
  O      -4.266972     -2.487106      3.956312
  C      -4.063563     -0.202600      4.269516
  F      -5.276562     -0.414720      4.866948
  S      -3.533191      1.345076      4.116892
  C      -7.173392     -5.545158      3.083397
  C      -7.939593     -6.594548      3.661534
  C      -9.228385     -6.400984      4.118465
  C      -9.835188     -5.140210      4.014707
  C      -9.142124     -4.104454      3.420205
  C      -7.825412     -4.255592      2.917368
  C      -7.168415     -3.150717      2.238674
  O      -5.912833     -3.078833      2.076094
  C      -7.885157     -2.047573      1.526943
  F      -9.240058     -2.176986      1.505333
  S      -7.189256     -0.799945      0.764685
  C      -2.595633     -4.233342      5.495807
  C      -1.269041     -3.986588      5.915881
  C      -0.981362     -3.206104      7.029020
  C      -2.018639     -2.640559      7.774677
  C      -3.333025     -2.902545      7.414618
  C      -3.660633     -3.716918      6.311622
  C      -5.040114     -4.067828      6.020578
  O      -5.411208     -4.485253      4.848896
  C      -6.105042     -4.110792      7.017075
  F      -7.307584     -4.364937      6.415112
  S      -6.076958     -3.991400      8.651113
  H      -0.468097     -3.525932      0.947791
  H       1.330453     -1.940258      1.510727
  H       0.936994     -0.157519      3.225314
  H      -1.280790      0.060509      4.288382
  H      -7.467070     -7.563024      3.814506
  H      -9.756983     -7.228191      4.596080
  H     -10.837254     -4.970285      4.408488
  H      -9.616842     -3.129591      3.365940
  H      -0.441127     -4.357990      5.315343
  H       0.060364     -3.011230      7.289710
  H      -1.806687     -1.992718      8.625649
  H      -4.143611     -2.457459      7.985282
  N      -4.669942     -4.597712      0.838769
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7243.920018413491
  N      -2.928288     -3.515360      1.949578
  C      -2.974967     -4.254700      0.743773
  C      -2.423822     -5.666980      0.927985
  N      -3.208317     -6.267115      2.013309
  C      -4.258105     -7.202421      1.540314
  C      -5.447759     -7.153352      2.479292
  N      -5.875770     -5.776984      2.714231
  Mo     -4.408537     -4.306980      3.063911
  N      -2.834065     -4.909826      4.302595
  C      -1.741699     -5.759487      3.851805
  C      -2.345385     -6.879093      3.028304
  H      -1.232000     -6.193286      4.724968
  H      -0.983557     -5.200220      3.274351
  H      -2.959064     -7.520397      3.675434
  H      -1.563316     -7.501732      2.560891
  H      -6.274917     -7.729752      2.036890
  H      -5.185135     -7.637729      3.441423
  H      -4.576932     -6.866313      0.550081
  H      -3.844809     -8.223778      1.479997
  H      -2.491767     -3.704647     -0.083364
  H      -4.422697     -3.944027      0.031950
  H      -1.362011     -5.629840      1.218893
  H      -2.506265     -6.251552      0.000683
  C      -1.925617     -2.646010      2.275225
  C      -0.656247     -2.740473      1.657136
  C       0.359885     -1.856563      1.980899
  C       0.140636     -0.852437      2.938284
  C      -1.103604     -0.719675      3.531904
  C      -2.171537     -1.587230      3.212739
  C      -3.483678     -1.450890      3.800556
  O      -4.266326     -2.483722      3.948349
  C      -4.047355     -0.202668      4.267859
  F      -5.260922     -0.409514      4.863908
  S      -3.507879      1.341497      4.122596
  C      -7.170622     -5.546916      3.076591
  C      -7.938013     -6.602757      3.644162
  C      -9.225253     -6.414756      4.106082
  C      -9.832481     -5.152392      4.021186
  C      -9.140358     -4.110658      3.437737
  C      -7.825143     -4.256279      2.927944
  C      -7.173356     -3.140232      2.266676
  O      -5.920533     -3.056125      2.097780
  C      -7.901779     -2.027720      1.575348
  F      -9.254248     -2.168396      1.542183
  S      -7.211355     -0.759439      0.840891
  C      -2.601175     -4.221388      5.493538
  C      -1.276683     -3.969787      5.918615
  C      -0.995878     -3.189194      7.033161
  C      -2.037349     -2.626719      7.775480
  C      -3.349394     -2.893459      7.410690
  C      -3.668625     -3.709311      6.306617
  C      -5.044464     -4.064893      6.006181
  O      -5.404545     -4.479555      4.830824
  C      -6.114621     -4.116672      6.995544
  F      -7.313767     -4.369255      6.386154
  S      -6.094170     -4.009302      8.630623
  H      -0.466680     -3.543060      0.944686
  H       1.337741     -1.962929      1.508642
  H       0.949827     -0.179551      3.223630
  H      -1.267685      0.050103      4.282010
  H      -7.466625     -7.573309      3.785002
  H      -9.752334     -7.247929      4.574655
  H     -10.832611     -4.986823      4.421155
  H      -9.613932     -3.134670      3.398802
  H      -0.445002     -4.336537      5.320578
  H       0.044224     -2.991046      7.297318
  H      -1.830367     -1.978140      8.626784
  H      -4.164134     -2.452541      7.978584
  N      -4.654217     -4.578349      0.805830
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7243.930986260490
  N      -2.925899     -3.522805      1.945297
  C      -2.979748     -4.276087      0.741087
  C      -2.418704     -5.677303      0.927302
  N      -3.202330     -6.273716      2.015432
  C      -4.254196     -7.205333      1.544186
  C      -5.445265     -7.151052      2.477935
  N      -5.872887     -5.773976      2.706349
  Mo     -4.405102     -4.305046      3.048540
  N      -2.836204     -4.895017      4.301710
  C      -1.740652     -5.742648      3.853541
  C      -2.341910     -6.871692      3.039923
  H      -1.228321     -6.169354      4.728661
  H      -0.983892     -5.186553      3.271604
  H      -2.955253     -7.506605      3.693595
  H      -1.558452     -7.497796      2.579447
  H      -6.268827     -7.731958      2.034625
  H      -5.187399     -7.632451      3.442887
  H      -4.563628     -6.872611      0.549612
  H      -3.848697     -8.230617      1.493143
  H      -2.517422     -3.730290     -0.100071
  H      -4.440582     -3.912078      0.002438
  H      -1.356737     -5.641871      1.216827
  H      -2.500594     -6.261850     -0.000033
  C      -1.921987     -2.657707      2.268673
  C      -0.653378     -2.753764      1.647028
  C       0.364957     -1.873944      1.970571
  C       0.151095     -0.870212      2.931050
  C      -1.091274     -0.733040      3.525972
  C      -2.163191     -1.596627      3.206896
  C      -3.473524     -1.456313      3.795198
  O      -4.263659     -2.481834      3.940634
  C      -4.029221     -0.204126      4.269628
  F      -5.242661     -0.407124      4.865305
  S      -3.481435      1.336603      4.131946
  C      -7.168111     -5.548810      3.070700
  C      -7.936447     -6.610450      3.627592
  C      -9.222755     -6.427204      4.093875
  C      -9.829972     -5.163601      4.026723
  C      -9.137976     -4.116097      3.454022
  C      -7.824315     -4.257536      2.938482
  C      -7.174912     -3.132017      2.294089
  O      -5.923005     -3.040879      2.122940
  C      -7.909253     -2.009787      1.623182
  F      -9.259370     -2.158714      1.575482
  S      -7.220047     -0.721739      0.919078
  C      -2.607458     -4.208311      5.493813
  C      -1.285344     -3.950959      5.923227
  C      -1.012243     -3.169600      7.039293
  C      -2.058377     -2.611253      7.778309
  C      -3.368210     -2.884327      7.409291
  C      -3.678027     -3.701834      6.304214
  C      -5.049681     -4.064853      5.993364
  O      -5.396327     -4.476333      4.813384
  C      -6.125538     -4.127708      6.974632
  F      -7.320487     -4.380652      6.357402
  S      -6.112673     -4.032531      8.610649
  H      -0.469035     -3.555832      0.932817
  H       1.341818     -1.982143      1.496727
  H       0.963502     -0.201335      3.216395
  H      -1.251813      0.037485      4.276030
  H      -7.466871     -7.583249      3.757090
  H      -9.748989     -7.265885      4.553434
  H     -10.828468     -5.002255      4.432226
  H      -9.609539     -3.138687      3.429305
  H      -0.449645     -4.312396      5.327486
  H       0.026037     -2.966861      7.307016
  H      -1.856531     -1.961436      8.629699
  H      -4.187594     -2.448486      7.974533
  N      -4.632803     -4.560163      0.774992
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7243.941377259247
  N      -2.924047     -3.528791      1.939677
  C      -2.987330     -4.294486      0.736359
  C      -2.414468     -5.686991      0.926349
  N      -3.198361     -6.278755      2.018643
  C      -4.251219     -7.208272      1.548058
  C      -5.443550     -7.149764      2.476844
  N      -5.870701     -5.771387      2.698848
  Mo     -4.401526     -4.303284      3.034463
  N      -2.839311     -4.880402      4.303517
  C      -1.741318     -5.726667      3.857476
  C      -2.340472     -6.863639      3.052769
  H      -1.226238     -6.147340      4.733972
  H      -0.986176     -5.173343      3.270966
  H      -2.954218     -7.492340      3.712031
  H      -1.555672     -7.493172      2.599143
  H      -6.263830     -7.734638      2.032643
  H      -5.190078     -7.628021      3.444580
  H      -4.552998     -6.878940      0.549854
  H      -3.851303     -8.236412      1.504470
  H      -2.543522     -3.751782     -0.116457
  H      -4.455719     -3.878414     -0.021653
  H      -1.352421     -5.652137      1.214129
  H      -2.496267     -6.273502      0.000279
  C      -1.918351     -2.667389      2.259138
  C      -0.652111     -2.763519      1.630618
  C       0.369223     -1.888190      1.953338
  C       0.162798     -0.886688      2.919225
  C      -1.076577     -0.746369      3.518358
  C      -2.153088     -1.605591      3.200186
  C      -3.460620     -1.461493      3.791414
  O      -4.258628     -2.480062      3.933705
  C      -4.007816     -0.206039      4.275117
  F      -5.220441     -0.406069      4.871683
  S      -3.451799      1.331178      4.145185
  C      -7.167007     -5.551498      3.065248
  C      -7.935841     -6.618489      3.611560
  C      -9.221872     -6.439491      4.081208
  C      -9.828974     -5.175071      4.030081
  C      -9.136662     -4.121990      3.467790
  C      -7.824318     -4.259982      2.947937
  C      -7.174994     -3.126559      2.319763
  O      -5.922229     -3.033027      2.149893
  C      -7.909575     -1.994257      1.669091
  F      -9.257709     -2.149434      1.604458
  S      -7.219241     -0.687137      0.998064
  C      -2.614330     -4.194736      5.496433
  C      -1.294756     -3.930985      5.929393
  C      -1.029825     -3.148161      7.046855
  C      -2.080907     -2.594561      7.782502
  C      -3.388650     -2.875094      7.409875
  C      -3.688675     -3.694557      6.304096
  C      -5.055783     -4.066859      5.982726
  O      -5.388278     -4.475138      4.798025
  C      -6.137200     -4.142016      6.956088
  F      -7.327601     -4.396784      6.331447
  S      -6.130702     -4.058668      8.592781
  H      -0.474035     -3.563518      0.912525
  H       1.344105     -1.997271      1.475483
  H       0.979151     -0.222354      3.204009
  H      -1.232144      0.023224      4.270472
  H      -7.468398     -7.593504      3.730807
  H      -9.747737     -7.283299      4.531879
  H     -10.826301     -5.017875      4.440119
  H      -9.605918     -3.143117      3.455847
  H      -0.455059     -4.286957      5.335724
  H       0.006524     -2.939896      7.318110
  H      -1.884253     -1.942948      8.633686
  H      -4.212806     -2.444742      7.972658
  N      -4.607281     -4.543777      0.746868
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7243.951050004715
  N      -2.921206     -3.532801      1.932923
  C      -2.996295     -4.309599      0.730641
  C      -2.411026     -5.695477      0.925390
  N      -3.196055     -6.282112      2.022789
  C      -4.248919     -7.211001      1.552282
  C      -5.442773     -7.149294      2.476292
  N      -5.870366     -5.769638      2.691694
  Mo     -4.398679     -4.301532      3.021745
  N      -2.842901     -4.866740      4.307550
  C      -1.743267     -5.712057      3.863020
  C      -2.340657     -6.855329      3.066012
  H      -1.225080     -6.127638      4.740231
  H      -0.990104     -5.160987      3.271805
  H      -2.955571     -7.478298      3.729639
  H      -1.554658     -7.488155      2.618889
  H      -6.259842     -7.737870      2.031089
  H      -5.193344     -7.624075      3.446850
  H      -4.544858     -6.885084      0.551107
  H      -3.852077     -8.240812      1.514477
  H      -2.567408     -3.769117     -0.131366
  H      -4.470626     -3.843387     -0.037729
  H      -1.348902     -5.659881      1.210819
  H      -2.493721     -6.285818      0.001909
  C      -1.913509     -2.674732      2.247511
  C      -0.651121     -2.769834      1.609488
  C       0.373884     -1.899338      1.930981
  C       0.176378     -0.901763      2.904016
  C      -1.059116     -0.759369      3.509608
  C      -2.140724     -1.613800      3.193077
  C      -3.444736     -1.465927      3.789277
  O      -4.251306     -2.477311      3.927901
  C      -3.982571     -0.207840      4.283960
  F      -5.193822     -0.405044      4.882562
  S      -3.417852      1.325685      4.161888
  C      -7.167911     -5.555421      3.059838
  C      -7.936815     -6.627489      3.596017
  C      -9.223092     -6.452534      4.067715
  C      -9.830364     -5.187741      4.030371
  C      -9.137742     -4.129368      3.478092
  C      -7.826188     -4.264022      2.955488
  C      -7.175459     -3.124160      2.342883
  O      -5.920535     -3.031633      2.176928
  C      -7.905609     -1.981542      1.712069
  F      -9.252290     -2.141671      1.628484
  S      -7.213341     -0.655963      1.076902
  C      -2.621541     -4.181238      5.500590
  C      -1.304521     -3.910704      5.936406
  C      -1.047846     -3.125914      7.054919
  C      -2.103948     -2.577246      7.787132
  C      -3.409615     -2.865720      7.411520
  C      -3.700143     -3.687456      6.305423
  C      -5.062551     -4.069728      5.974369
  O      -5.381962     -4.475205      4.785733
  C      -6.148743     -4.157261      6.941149
  F      -7.334812     -4.414526      6.310388
  S      -6.146475     -4.084823      8.578170
  H      -0.480242     -3.566387      0.885797
  H       1.345944     -2.008481      1.447211
  H       0.997143     -0.242382      3.187868
  H      -1.208509      0.007938      4.265369
  H      -7.471464     -7.604447      3.706378
  H      -9.748820     -7.301098      4.509769
  H     -10.827058     -5.034679      4.443681
  H      -9.604986     -3.149300      3.477199
  H      -0.461091     -4.261496      5.344639
  H      -0.013486     -2.911711      7.329571
  H      -1.912468     -1.923441      8.637867
  H      -4.238286     -2.440795      7.972111
  N      -4.579775     -4.529622      0.722060
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7243.959912449038
  N      -2.916484     -3.534915      1.925473
  C      -3.005175     -4.321789      0.724639
  C      -2.408198     -5.702434      0.924268
  N      -3.194950     -6.283738      2.027511
  C      -4.247028     -7.213170      1.557027
  C      -5.442748     -7.149340      2.476551
  N      -5.872230     -5.768830      2.684941
  Mo     -4.397082     -4.299693      3.010186
  N      -2.846675     -4.854389      4.313004
  C      -1.746037     -5.698895      3.869345
  C      -2.341936     -6.847020      3.078780
  H      -1.224178     -6.110087      4.746585
  H      -0.995356     -5.149441      3.273282
  H      -2.958635     -7.464891      3.745562
  H      -1.554986     -7.482953      2.637608
  H      -6.256460     -7.741640      2.030194
  H      -5.196986     -7.620272      3.449955
  H      -4.538852     -6.890652      0.553457
  H      -3.850983     -8.243578      1.523565
  H      -2.586824     -3.783272     -0.144379
  H      -4.488003     -3.807620     -0.043890
  H      -1.345894     -5.664948      1.206497
  H      -2.493276     -6.298189      0.004615
  C      -1.906978     -2.679987      2.234871
  C      -0.649497     -2.773258      1.585672
  C       0.379564     -1.907823      1.905788
  C       0.191810     -0.915528      2.887060
  C      -1.039211     -0.771901      3.500521
  C      -2.126200     -1.621213      3.186125
  C      -3.426279     -1.469587      3.788580
  O      -4.242054     -2.473143      3.923120
  C      -3.953820     -0.209334      4.295363
  F      -5.163330     -0.403306      4.896784
  S      -3.379729      1.320309      4.181323
  C      -7.170780     -5.560612      3.054407
  C      -7.939453     -6.637550      3.581280
  C      -9.226344     -6.466617      4.053599
  C      -9.834379     -5.201865      4.027466
  C      -9.141764     -4.138610      3.484631
  C      -7.830307     -4.269694      2.960850
  C      -7.177439     -3.124816      2.363067
  O      -5.919549     -3.035422      2.202745
  C      -7.899980     -1.971851      1.751570
  F      -9.245673     -2.135889      1.647357
  S      -7.205761     -0.628485      1.154742
  C      -2.628862     -4.168183      5.505269
  C      -1.314269     -3.890779      5.943512
  C      -1.065577     -3.103866      7.062670
  C      -2.126585     -2.559951      7.791470
  C      -3.430109     -2.856193      7.413349
  C      -3.711915     -3.680420      6.307254
  C      -5.069698     -4.072351      5.967876
  O      -5.378244     -4.475707      4.776621
  C      -6.159626     -4.171532      6.929937
  F      -7.341908     -4.431267      6.294626
  S      -6.159384     -4.109045      8.566969
  H      -0.486430     -3.565258      0.855217
  H       1.348187     -2.016356      1.414885
  H       1.017148     -0.261342      3.169845
  H      -1.181535     -0.007817      4.260907
  H      -7.475854     -7.616019      3.684282
  H      -9.751970     -7.319532      4.487511
  H     -10.830973     -5.052935      4.442689
  H      -9.607675     -3.157787      3.492821
  H      -0.467518     -4.236965      5.353529
  H      -0.033214     -2.883843      7.340560
  H      -1.940179     -1.903845      8.641645
  H      -4.262779     -2.436276      7.972035
  N      -4.552338     -4.518035      0.701252
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7243.967931259728
  N      -2.909652     -3.535537      1.917805
  C      -3.012694     -4.331566      0.718733
  C      -2.405727     -5.707890      0.922655
  N      -3.194594     -6.283744      2.032401
  C      -4.245356     -7.214576      1.562254
  C      -5.443104     -7.149637      2.477791
  N      -5.876003     -5.768816      2.678654
  Mo     -4.396894     -4.297707      2.999393
  N      -2.850550     -4.843507      4.318999
  C      -1.749272     -5.687148      3.875694
  C      -2.343843     -6.838971      3.090411
  H      -1.223120     -6.094396      4.752336
  H      -1.001637     -5.138619      3.274668
  H      -2.962773     -7.452372      3.759319
  H      -1.556245     -7.477858      2.654582
  H      -6.253221     -7.745886      2.030197
  H      -5.200568     -7.616364      3.454017
  H      -4.534647     -6.895392      0.556799
  H      -3.848380     -8.244763      1.531931
  H      -2.600368     -3.795404     -0.155626
  H      -4.510288     -3.772287     -0.038847
  H      -1.343036     -5.667863      1.200657
  H      -2.495078     -6.310313      0.007945
  C      -1.898833     -2.683556      2.222146
  C      -0.646806     -2.774295      1.560940
  C       0.386409     -1.914021      1.879729
  C       0.208725     -0.927992      2.869855
  C      -1.017488     -0.783814      3.491888
  C      -2.109913     -1.627830      3.179820
  C      -3.405925     -1.472633      3.788982
  O      -4.231290     -2.467655      3.918881
  C      -3.922485     -0.210540      4.308506
  F      -5.130116     -0.400810      4.913015
  S      -3.338551      1.315137      4.202887
  C      -7.175153     -5.566799      3.049121
  C      -7.943346     -6.648391      3.567826
  C      -9.231111     -6.481570      4.039430
  C      -9.840727     -5.217248      4.021796
  C      -9.148600     -4.149581      3.487582
  C      -7.836508     -4.276753      2.964123
  C      -7.181285     -3.128168      2.380223
  O      -5.920002     -3.043027      2.226482
  C      -7.894533     -1.965062      1.787412
  F      -9.239441     -2.132065      1.661204
  S      -7.198641     -0.604658      1.230913
  C      -2.636149     -4.155823      5.509590
  C      -1.323770     -3.871771      5.950126
  C      -1.082522     -3.082894      7.069605
  C      -2.148173     -2.543283      7.795110
  C      -3.449489     -2.846592      7.414713
  C      -3.723560     -3.673351      6.308796
  C      -5.077003     -4.073917      5.962545
  O      -5.377339     -4.475932      4.770091
  C      -6.169678     -4.183508      6.921808
  F      -7.348901     -4.445014      6.283400
  S      -6.169640     -4.130128      8.558609
  H      -0.491817     -3.560904      0.823012
  H       1.351218     -2.021382      1.381043
  H       1.038575     -0.279079      3.151639
  H      -1.152155     -0.023547      4.257408
  H      -7.480891     -7.627846      3.665044
  H      -9.756520     -7.338402      4.465908
  H     -10.837716     -5.072466      4.437637
  H      -9.614039     -3.168480      3.502728
  H      -0.474143     -4.214088      5.361852
  H      -0.052098     -2.857597      7.350623
  H      -1.966654     -1.885051      8.644772
  H      -4.285574     -2.431046      7.971719
  N      -4.526727     -4.509193      0.685122
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7243.975135542005
  N      -2.900948     -3.535099      1.910323
  C      -3.017915     -4.339259      0.713140
  C      -2.403472     -5.712092      0.920394
  N      -3.194643     -6.282374      2.037179
  C      -4.243794     -7.215225      1.567873
  C      -5.443443     -7.150019      2.480117
  N      -5.881066     -5.769363      2.672911
  Mo     -4.398008     -4.295540      2.988931
  N      -2.854553     -4.834182      4.324782
  C      -1.752714     -5.676786      3.881547
  C      -2.346017     -6.831440      3.100565
  H      -1.221721     -6.080313      4.757090
  H      -1.008667     -5.128508      3.275503
  H      -2.967480     -7.440900      3.770804
  H      -1.558091     -7.473194      2.669513
  H      -6.249749     -7.750546      2.031353
  H      -5.203624     -7.612196      3.459115
  H      -4.531989     -6.899278      0.560998
  H      -3.844754     -8.244654      1.539688
  H      -2.607654     -3.806348     -0.165466
  H      -4.539213     -3.739106     -0.021927
  H      -1.340126     -5.669539      1.193115
  H      -2.499233     -6.322075      0.011580
  C      -1.889448     -2.685719      2.209966
  C      -0.643014     -2.773227      1.536526
  C       0.394250     -1.918096      1.854131
  C       0.226634     -0.939005      2.853420
  C      -0.994635     -0.794878      3.484255
  C      -2.092365     -1.633576      3.174453
  C      -3.384390     -1.475198      3.790099
  O      -4.219380     -2.461207      3.914530
  C      -3.889690     -0.211569      4.322748
  F      -5.095491     -0.397985      4.930179
  S      -3.295794      1.310181      4.226293
  C      -7.180425     -5.573588      3.044242
  C      -7.947870     -6.659557      3.556114
  C      -9.236749     -6.496966      4.025792
  C      -9.848867     -5.233455      4.013865
  C      -9.157735     -4.161855      3.487222
  C      -7.844305     -4.284806      2.965547
  C      -7.186784     -3.133600      2.394417
  O      -5.921927     -3.053147      2.247646
  C      -7.890218     -1.960745      1.819623
  F      -9.234218     -2.129814      1.670420
  S      -7.192958     -0.584191      1.304829
  C      -2.643320     -4.144366      5.512947
  C      -1.332904     -3.854163      5.955849
  C      -1.098383     -3.063687      7.075463
  C      -2.168298     -2.527742      7.797866
  C      -3.467406     -2.837070      7.415203
  C      -3.734765     -3.666230      6.309516
  C      -5.084322     -4.074004      5.957694
  O      -5.379023     -4.475378      4.765264
  C      -6.178942     -4.192550      6.915846
  F      -7.355889     -4.454679      6.275471
  S      -6.177818     -4.147771      8.552253
  H      -0.496080     -3.553850      0.790746
  H       1.355042     -2.023798      1.347386
  H       1.060802     -0.295320      3.134386
  H      -1.121336     -0.038796      4.255129
  H      -7.485766     -7.639440      3.649132
  H      -9.761755     -7.357261      4.445741
  H     -10.846719     -5.092842      4.429106
  H      -9.623605     -3.180924      3.507080
  H      -0.480823     -4.193411      5.369241
  H      -0.069772     -2.833949      7.359552
  H      -1.991371     -1.867758      8.647190
  H      -4.306369     -2.425137      7.970641
  N      -4.504365     -4.503074      0.674282
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7243.981606559201
  N      -2.890936     -3.533922      1.903324
  C      -3.020343     -4.344886      0.707992
  C      -2.401629     -5.715298      0.917629
  N      -3.194913     -6.279924      2.041739
  C      -4.242311     -7.215306      1.573859
  C      -5.443444     -7.150474      2.483655
  N      -5.886682     -5.770313      2.667854
  Mo     -4.400154     -4.293209      2.978467
  N      -2.858678     -4.826478      4.329786
  C      -1.756120     -5.667759      3.886570
  C      -2.348177     -6.824644      3.109122
  H      -1.219867     -6.067616      4.760650
  H      -1.016130     -5.119122      3.275515
  H      -2.972307     -7.430597      3.780143
  H      -1.560233     -7.469207      2.682318
  H      -6.245817     -7.755639      2.033996
  H      -5.205781     -7.607733      3.465379
  H      -4.530723     -6.902485      0.566000
  H      -3.840554     -8.243668      1.546988
  H      -2.609296     -3.816379     -0.174278
  H      -4.575457     -3.710058      0.006978
  H      -1.337354     -5.670909      1.184197
  H      -2.505947     -6.333255      0.015417
  C      -1.879373     -2.686589      2.198680
  C      -0.638413     -2.770180      1.513177
  C       0.402675     -1.920069      1.829730
  C       0.244966     -0.948341      2.838285
  C      -0.971359     -0.804831      3.477881
  C      -2.074127     -1.638322      3.170123
  C      -3.362411     -1.477368      3.791604
  O      -4.206663     -2.454292      3.909458
  C      -3.856644     -0.212640      4.337751
  F      -5.060760     -0.395587      4.947692
  S      -3.253049      1.305334      4.251615
  C      -7.185993     -5.580630      3.040030
  C      -7.952426     -6.670568      3.546506
  C      -9.242714     -6.512253      4.013050
  C      -9.858243     -5.249934      4.003889
  C      -9.168493     -4.174898      3.483622
  C      -7.853043     -4.293448      2.965299
  C      -7.193347     -3.140417      2.405744
  O      -5.924894     -3.064714      2.266008
  C      -7.887125     -1.958320      1.848227
  F      -9.229835     -2.128444      1.675499
  S      -7.188569     -0.566745      1.375827
  C      -2.650249     -4.133994      5.514992
  C      -1.341551     -3.838336      5.960427
  C      -1.112954     -3.046716      7.080124
  C      -2.186668     -2.513710      7.799674
  C      -3.483659     -2.827840      7.414615
  C      -3.745264     -3.659141      6.309121
  C      -5.091497     -4.072562      5.952837
  O      -5.382804     -4.473796      4.761327
  C      -6.187414     -4.198564      6.911259
  F      -7.362902     -4.459849      6.269786
  S      -6.184290     -4.162170      8.547176
  H      -0.499305     -3.544460      0.759428
  H       1.359365     -2.023695      1.314870
  H       1.083201     -0.309748      3.118641
  H      -1.090032     -0.053168      4.254174
  H      -7.489823     -7.650327      3.636991
  H      -9.767172     -7.375506      4.427522
  H     -10.857433     -5.113466      4.417284
  H      -9.635656     -3.194529      3.505813
  H      -0.487377     -4.175290      5.375471
  H      -0.085982     -2.813502      7.367255
  H      -2.013936     -1.852454      8.648905
  H      -4.325057     -2.418731      7.968486
  N      -4.486286     -4.499548      0.669253
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7243.987418106168
  N      -2.880379     -3.532264      1.897039
  C      -3.019887     -4.348231      0.703318
  C      -2.400733     -5.717715      0.914832
  N      -3.195426     -6.276721      2.046090
  C      -4.240977     -7.215144      1.580250
  C      -5.442911     -7.151137      2.488558
  N      -5.892103     -5.771640      2.663677
  Mo     -4.402967     -4.290809      2.967798
  N      -2.862866     -4.820438      4.333599
  C      -1.759255     -5.659975      3.890523
  C      -2.350142     -6.818739      3.116080
  H      -1.217468     -6.056112      4.762900
  H      -1.023689     -5.110469      3.274530
  H      -2.976855     -7.421556      3.787583
  H      -1.562482     -7.466024      2.692936
  H      -6.241381     -7.761285      2.038538
  H      -5.206792     -7.603075      3.472984
  H      -4.530790     -6.905337      0.571820
  H      -3.836175     -8.242283      1.554044
  H      -2.606560     -3.825262     -0.182358
  H      -4.618243     -3.686668      0.047409
  H      -1.335324     -5.672816      1.174874
  H      -2.515390     -6.343402      0.019497
  C      -1.869242     -2.686239      2.188488
  C      -0.633506     -2.765302      1.491392
  C       0.411090     -1.919931      1.806922
  C       0.262990     -0.955736      2.824631
  C      -0.948485     -0.813417      3.472794
  C      -2.055893     -1.641976      3.166802
  C      -3.340836     -1.479255      3.793232
  O      -4.193581     -2.447510      3.903178
  C      -3.824699     -0.214098      4.353320
  F      -5.027350     -0.394557      4.965178
  S      -3.212040      1.300339      4.278994
  C      -7.191276     -5.587631      3.036714
  C      -7.956480     -6.680922      3.539356
  C      -9.248554     -6.526744      4.001497
  C      -9.868258     -5.265996      3.991922
  C      -9.180059     -4.188085      3.476689
  C      -7.861931     -4.302270      2.963457
  C      -7.200120     -3.147917      2.414262
  O      -5.928151     -3.076876      2.281459
  C      -7.884675     -1.957132      1.873170
  F      -9.225591     -2.126954      1.677080
  S      -7.184420     -0.552005      1.443086
  C      -2.656781     -4.124882      5.515552
  C      -1.349575     -3.824585      5.963668
  C      -1.126071     -3.032277      7.083500
  C      -2.203054     -2.501476      7.800492
  C      -3.498109     -2.819174      7.412865
  C      -3.754824     -3.652279      6.307487
  C      -5.098355     -4.069858      5.947672
  O      -5.388045     -4.471163      4.757607
  C      -6.195019     -4.201938      6.907398
  F      -7.369857     -4.460800      6.265490
  S      -6.189237     -4.174076      8.542789
  H      -0.501801     -3.533138      0.729819
  H       1.363670     -2.021109      1.284029
  H       1.104987     -0.321963      3.104501
  H      -1.059352     -0.066278      4.254426
  H      -7.492592     -7.660038      3.629168
  H      -9.772418     -7.392348      4.411721
  H     -10.869288     -5.133516      4.402138
  H      -9.649284     -3.208609      3.498676
  H      -0.493594     -4.159927      5.380371
  H      -0.100526     -2.796551      7.373612
  H      -2.034022     -1.839455      8.649893
  H      -4.341589     -2.412112      7.965085
  N      -4.472833     -4.498370      0.670324
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7243.992573155961
  N      -2.870090     -3.530394      1.891556
  C      -3.016875     -4.349053      0.698882
  C      -2.401356     -5.719494      0.912736
  N      -3.196331     -6.273097      2.050294
  C      -4.239905     -7.215153      1.587090
  C      -5.441758     -7.152239      2.494973
  N      -5.896651     -5.773410      2.660586
  Mo     -4.406012     -4.288478      2.956788
  N      -2.867101     -4.816069      4.336010
  C      -1.761963     -5.653276      3.893303
  C      -2.351838     -6.813765      3.121574
  H      -1.214529     -6.045607      4.763850
  H      -1.031065     -5.102516      3.272516
  H      -2.980814     -7.413768      3.793513
  H      -1.564753     -7.463615      2.701390
  H      -6.236544     -7.767691      2.045448
  H      -5.206469     -7.598391      3.482101
  H      -4.532132     -6.908243      0.578463
  H      -3.831913     -8.240998      1.561094
  H      -2.601197     -3.832584     -0.190167
  H      -4.665416     -3.669550      0.098039
  H      -1.334760     -5.675863      1.166725
  H      -2.527203     -6.351870      0.023890
  C      -1.859667     -2.684815      2.179418
  C      -0.628891     -2.758816      1.471365
  C       0.418814     -1.917688      1.785764
  C       0.279911     -0.961020      2.812348
  C      -0.926864     -0.820548      3.468862
  C      -2.038392     -1.644625      3.164375
  C      -3.320515     -1.481042      3.794795
  O      -4.180716     -2.441473      3.895345
  C      -3.795134     -0.216413      4.369352
  F      -4.996647     -0.395834      4.982330
  S      -3.174297      1.294763      4.308561
  C      -7.195741     -5.594308      3.034491
  C      -7.959539     -6.690098      3.535035
  C      -9.253834     -6.539721      3.991472
  C      -9.878282     -5.280925      3.978026
  C      -9.191572     -4.200797      3.466328
  C      -7.870144     -4.310851      2.960057
  C      -7.206215     -3.155387      2.420021
  O      -5.930880     -3.088825      2.293932
  C      -7.882064     -1.956439      1.894476
  F      -9.220696     -2.124255      1.675967
  S      -7.179220     -0.539577      1.505803
  C      -2.662844     -4.117156      5.514639
  C      -1.356921     -3.813116      5.965476
  C      -1.137678     -3.020548      7.085575
  C      -2.217346     -2.491301      7.800364
  C      -3.510730     -2.811396      7.410044
  C      -3.763336     -3.645880      6.304651
  C      -5.104782     -4.066317      5.942022
  O      -5.394062     -4.467530      4.753520
  C      -6.201708     -4.203366      6.903708
  F      -7.376681     -4.458124      6.261858
  S      -6.192733     -4.184622      8.538588
  H      -0.504010     -3.520332      0.702316
  H       1.367312     -2.016026      1.254964
  H       1.125305     -0.331627      3.091711
  H      -1.030443     -0.077947      4.255664
  H      -7.493703     -7.668090      3.626301
  H      -9.777140     -7.406956      4.398901
  H     -10.881654     -5.152105      4.383652
  H      -9.663546     -3.222523      3.485441
  H      -0.499345     -4.147374      5.383841
  H      -0.113323     -2.783197      7.378528
  H      -2.051423     -1.829021      8.650190
  H      -4.356011     -2.405655      7.960493
  N      -4.463374     -4.499211      0.677207
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7243.996998281423
  N      -2.860716     -3.528575      1.886733
  C      -3.012324     -4.347295      0.694060
  C      -2.403654     -5.720569      0.911947
  N      -3.197678     -6.269322      2.054376
  C      -4.239086     -7.215709      1.594382
  C      -5.439917     -7.154006      2.503010
  N      -5.899874     -5.775743      2.658866
  Mo     -4.408773     -4.286389      2.945435
  N      -2.871365     -4.813335      4.337197
  C      -1.764106     -5.647432      3.895048
  C      -2.353116     -6.809545      3.125858
  H      -1.211075     -6.035928      4.763722
  H      -1.038015     -5.095102      3.269713
  H      -2.983822     -7.407053      3.798376
  H      -1.566852     -7.461674      2.707779
  H      -6.231425     -7.775073      2.055190
  H      -5.204522     -7.593856      3.492836
  H      -4.534566     -6.911559      0.585889
  H      -3.827760     -8.240185      1.568307
  H      -2.595774     -3.838036     -0.198675
  H      -4.714586     -3.658641      0.156515
  H      -1.336005     -5.679912      1.161253
  H      -2.539992     -6.357863      0.028384
  C      -1.851049     -2.682572      2.171192
  C      -0.625154     -2.751066      1.452734
  C       0.425297     -1.913568      1.765797
  C       0.295204     -0.964441      2.800979
  C      -0.906971     -0.826586      3.465814
  C      -2.022086     -1.646678      3.162660
  C      -3.301904     -1.483056      3.796351
  O      -4.168588     -2.436667      3.885996
  C      -3.768450     -0.220205      4.386164
  F      -4.969209     -0.400188      4.999410
  S      -3.140222      1.287904      4.340839
  C      -7.199023     -5.600398      3.033549
  C      -7.961285     -6.697662      3.533870
  C      -9.258290     -6.550650      3.983217
  C      -9.887885     -5.294221      3.962190
  C      -9.202414     -4.212608      3.452481
  C      -7.877062     -4.318823      2.955181
  C      -7.211085     -3.162187      2.423245
  O      -5.932605     -3.099685      2.303522
  C      -7.878824     -1.955530      1.912450
  F      -9.214785     -2.119652      1.673003
  S      -7.172412     -0.528935      1.563528
  C      -2.668509     -4.110813      5.512609
  C      -1.363688     -3.803889      5.966074
  C      -1.147963     -3.011391      7.086598
  C      -2.229754     -2.483186      7.799532
  C      -3.521768     -2.804669      7.406451
  C      -3.770914     -3.640089      6.300897
  C      -5.110788     -4.062343      5.935909
  O      -5.400225     -4.462914      4.748727
  C      -6.207630     -4.203525      6.899755
  F      -7.383426     -4.452365      6.258228
  S      -6.195062     -4.194968      8.534160
  H      -0.506524     -3.506478      0.676617
  H       1.369701     -2.008606      1.227122
  H       1.143640     -0.338901      3.079671
  H      -1.003929     -0.088573      4.257674
  H      -7.492972     -7.674072      3.629001
  H      -9.781098     -7.418737      4.389464
  H     -10.894136     -5.168592      4.361668
  H      -9.677822     -3.235883      3.465978
  H      -0.504641     -4.137390      5.386118
  H      -0.124563     -2.773122      7.382164
  H      -2.066330     -1.821082      8.649987
  H      -4.368640     -2.399581      7.954966
  N      -4.456590     -4.501800      0.688689
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.000575089778
  N      -2.852498     -3.526934      1.882216
  C      -3.007681     -4.343337      0.688057
  C      -2.407058     -5.720676      0.912751
  N      -3.199369     -6.265499      2.058307
  C      -4.238383     -7.216927      1.602049
  C      -5.437361     -7.156465      2.512674
  N      -5.901741     -5.778686      2.658844
  Mo     -4.410767     -4.284675      2.933934
  N      -2.875696     -4.812173      4.337821
  C      -1.765645     -5.642180      3.896196
  C      -2.353780     -6.805696      3.129250
  H      -1.207198     -6.026981      4.762980
  H      -1.044459     -5.087884      3.266696
  H      -2.985565     -7.401115      3.802526
  H      -1.568511     -7.459649      2.712273
  H      -6.226138     -7.783435      2.068039
  H      -5.200598     -7.589504      3.505125
  H      -4.537821     -6.915328      0.594002
  H      -3.823442     -8.239880      1.575692
  H      -2.592980     -3.841883     -0.209219
  H      -4.764125     -3.653885      0.219608
  H      -1.338713     -5.683871      1.159477
  H      -2.551207     -6.360846      0.032591
  C      -1.843432     -2.679767      2.163234
  C      -0.622769     -2.742311      1.434419
  C       0.430265     -1.907939      1.745859
  C       0.308943     -0.966730      2.789683
  C      -0.888483     -0.832414      3.463336
  C      -2.006842     -1.648847      3.161537
  C      -3.284631     -1.485779      3.798428
  O      -4.157354     -2.433273      3.875689
  C      -3.743685     -0.226244      4.404946
  F      -4.944018     -0.408127      5.017806
  S      -3.108266      1.278768      4.377425
  C      -7.201085     -5.605717      3.033953
  C      -7.961657     -6.703460      3.535953
  C      -9.261897     -6.559556      3.976677
  C      -9.897069     -5.306015      3.944222
  C      -9.212562     -4.223605      3.435111
  C      -7.882599     -4.326026      2.948903
  C      -7.214901     -3.167935      2.424291
  O      -5.933568     -3.108557      2.310526
  C      -7.875311     -1.953914      1.927630
  F      -9.208295     -2.113274      1.668487
  S      -7.164907     -0.519419      1.616564
  C      -2.674008     -4.105672      5.510163
  C      -1.370146     -3.796538      5.966041
  C      -1.157363     -3.004251      7.087085
  C      -2.240821     -2.476714      7.798415
  C      -3.531721     -2.798807      7.402558
  C      -3.777910     -3.634809      6.296733
  C      -5.116563     -4.058022      5.929575
  O      -5.406238     -4.457112      4.743266
  C      -6.213216     -4.202569      6.895371
  F      -7.390402     -4.443316      6.254163
  S      -6.196820     -4.205722      8.529315
  H      -0.510165     -3.491637      0.651412
  H       1.370365     -1.999077      1.198989
  H       1.160198     -0.344599      3.067392
  H      -0.979263     -0.099299      4.260422
  H      -7.490328     -7.677769      3.637614
  H      -9.784143     -7.427779      4.383385
  H     -10.906796     -5.183145      4.335779
  H      -9.692244     -3.248907      3.440307
  H      -0.509664     -4.129433      5.387816
  H      -0.134712     -2.765535      7.384966
  H      -2.079374     -1.815072      8.649623
  H      -4.380042     -2.393732      7.948915
  N      -4.451198     -4.506070      0.702556
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.003191305738
  N      -2.845410     -3.525359      1.877402
  C      -3.004079     -4.338158      0.680346
  C      -2.410352     -5.719567      0.915614
  N      -3.201339     -6.261552      2.062231
  C      -4.237692     -7.218550      1.610024
  C      -5.434121     -7.159323      2.523906
  N      -5.902559     -5.782066      2.660828
  Mo     -4.411715     -4.283264      2.922565
  N      -2.880473     -4.812453      4.338835
  C      -1.766895     -5.637130      3.897387
  C      -2.353860     -6.801747      3.132275
  H      -1.203208     -6.018471      4.762226
  H      -1.050837     -5.080225      3.264191
  H      -2.986081     -7.395602      3.806404
  H      -1.569660     -7.456934      2.715360
  H      -6.220773     -7.792438      2.084059
  H      -5.194390     -7.585110      3.518773
  H      -4.541649     -6.919094      0.602737
  H      -3.818732     -8.239748      1.583129
  H      -2.594141     -3.845613     -0.222893
  H      -4.812822     -3.655831      0.283036
  H      -1.342014     -5.685854      1.162896
  H      -2.557154     -6.361130      0.036791
  C      -1.836748     -2.676489      2.154658
  C      -0.622268     -2.732355      1.414602
  C       0.433515     -1.900944      1.724053
  C       0.321690     -0.968856      2.777314
  C      -0.870320     -0.839316      3.461205
  C      -1.992005     -1.651961      3.160980
  C      -3.267555     -1.489754      3.801912
  O      -4.146852     -2.431010      3.865047
  C      -3.718451     -0.235461      4.427881
  F      -4.918576     -0.420030      5.040021
  S      -3.074981      1.265992      4.421599
  C      -7.202183     -5.610216      3.035538
  C      -7.960716     -6.707656      3.541169
  C      -9.264769     -6.567086      3.971431
  C      -9.906282     -5.317183      3.923421
  C      -9.222671     -4.234526      3.413731
  C      -7.887272     -4.332660      2.940994
  C      -7.218498     -3.172696      2.423295
  O      -5.934668     -3.114657      2.315229
  C      -7.872834     -1.951535      1.940697
  F      -9.202514     -2.106133      1.662294
  S      -7.159389     -0.510072      1.667077
  C      -2.679734     -4.101310      5.508017
  C      -1.376665     -3.790509      5.965918
  C      -1.166260     -2.998512      7.087526
  C      -2.250978     -2.471352      7.797498
  C      -3.540993     -2.793338      7.398909
  C      -3.784748     -3.629575      6.292706
  C      -5.122486     -4.052718      5.923288
  O      -5.412374     -4.449218      4.737342
  C      -6.219064     -4.199721      6.890608
  F      -7.398197     -4.429368      6.249568
  S      -6.198544     -4.217179      8.524031
  H      -0.516195     -3.475021      0.624242
  H       1.368691     -1.987239      1.167966
  H       1.175783     -0.349974      3.053603
  H      -0.954652     -0.111984      4.264268
  H      -7.485555     -7.679082      3.652435
  H      -9.786104     -7.434878      4.380304
  H     -10.920212     -5.196923      4.304924
  H      -9.707772     -3.262581      3.407887
  H      -0.514817     -4.122896      5.389408
  H      -0.144153     -2.759711      7.387346
  H      -2.091031     -1.810399      8.649552
  H      -4.390582     -2.387595      7.942890
  N      -4.446492     -4.512333      0.715925
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.004827680316
  N      -2.840124     -3.523324      1.871475
  C      -3.002916     -4.333036      0.670987
  C      -2.412428     -5.716856      0.921177
  N      -3.203655     -6.257186      2.066488
  C      -4.237043     -7.219815      1.618097
  C      -5.430131     -7.162156      2.536619
  N      -5.902585     -5.785628      2.665524
  Mo     -4.411600     -4.281929      2.911949
  N      -2.886281     -4.813817      4.341212
  C      -1.768338     -5.631587      3.899140
  C      -2.353549     -6.797221      3.135494
  H      -1.199374     -6.009685      4.761866
  H      -1.057952     -5.071045      3.262707
  H      -2.985459     -7.390237      3.810511
  H      -1.570358     -7.452868      2.717607
  H      -6.215299     -7.801535      2.103138
  H      -5.185428     -7.580620      3.533400
  H      -4.545957     -6.921540      0.612005
  H      -3.813682     -8.239009      1.589998
  H      -2.600016     -3.851326     -0.239986
  H      -4.859700     -3.664964      0.341504
  H      -1.345301     -5.682712      1.173563
  H      -2.553741     -6.359777      0.042120
  C      -1.831560     -2.672553      2.144267
  C      -0.624944     -2.720533      1.390866
  C       0.434350     -1.892797      1.698057
  C       0.334178     -0.972518      2.762909
  C      -0.850947     -0.849377      3.459726
  C      -1.976818     -1.657066      3.161246
  C      -3.249289     -1.495690      3.808068
  O      -4.137086     -2.429248      3.854467
  C      -3.689476     -0.249190      4.458401
  F      -4.889752     -0.436482      5.069373
  S      -3.035209      1.247308      4.479405
  C      -7.202683     -5.614147      3.038218
  C      -7.958601     -6.710716      3.549577
  C      -9.267189     -6.574299      3.966877
  C      -9.916321     -5.329194      3.898502
  C      -9.233796     -4.246671      3.387259
  C      -7.891907     -4.339397      2.930974
  C      -7.222779     -3.177089      2.420166
  O      -5.936845     -3.117696      2.318219
  C      -7.872679     -1.949027      1.951808
  F      -9.197825     -2.100507      1.650535
  S      -7.158524     -0.500501      1.717900
  C      -2.685927     -4.096875      5.506710
  C      -1.383424     -3.784626      5.965868
  C      -1.174729     -2.993076      7.088098
  C      -2.260276     -2.466335      7.797257
  C      -3.549640     -2.787644      7.396202
  C      -3.791598     -3.623636      6.289431
  C      -5.128823     -4.045276      5.917485
  O      -5.419290     -4.437549      4.731371
  C      -6.225549     -4.193376      6.885888
  F      -7.407492     -4.406663      6.244918
  S      -6.200267     -4.229544      8.518598
  H      -0.527085     -3.454890      0.591642
  H       1.363344     -1.972867      1.130741
  H       1.191638     -0.357454      3.037369
  H      -0.927280     -0.129792      4.270518
  H      -7.478330     -7.678037      3.674357
  H      -9.786941     -7.441137      4.379824
  H     -10.935378     -5.211866      4.267146
  H      -9.725797     -3.278490      3.367312
  H      -0.520405     -4.116409      5.390778
  H      -0.152969     -2.754357      7.389270
  H      -2.101331     -1.806392      8.650301
  H      -4.400237     -2.380713      7.937835
  N      -4.443029     -4.520972      0.726098
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.005628108446
  N      -2.839107     -3.519571      1.863347
  C      -3.006684     -4.329124      0.660776
  C      -2.412889     -5.711764      0.929468
  N      -3.206249     -6.251844      2.071312
  C      -4.236479     -7.219402      1.625548
  C      -5.425043     -7.164641      2.550438
  N      -5.901670     -5.789270      2.674216
  Mo     -4.410884     -4.280228      2.903312
  N      -2.893342     -4.814875      4.345285
  C      -1.770321     -5.624351      3.901514
  C      -2.352990     -6.791501      3.139292
  H      -1.195930     -5.999231      4.761974
  H      -1.066314     -5.059096      3.262261
  H      -2.983644     -7.384562      3.815281
  H      -1.570502     -7.446643      2.719579
  H      -6.209486     -7.810004      2.124617
  H      -5.172888     -7.576726      3.548040
  H      -4.550802     -6.920346      0.621393
  H      -3.808503     -8.236409      1.594631
  H      -2.612157     -3.860164     -0.259427
  H      -4.903203     -3.680436      0.387407
  H      -1.348676     -5.669747      1.192489
  H      -2.537958     -6.358142      0.049975
  C      -1.829550     -2.667987      2.131232
  C      -0.632799     -2.706839      1.361869
  C       0.432212     -1.886101      1.668194
  C       0.347917     -0.983064      2.749090
  C      -0.828334     -0.867621      3.462021
  C      -1.960853     -1.666250      3.163718
  C      -3.229070     -1.504439      3.818317
  O      -4.129347     -2.426649      3.843548
  C      -3.653828     -0.268632      4.499294
  F      -4.856211     -0.456451      5.106165
  S      -2.982418      1.219372      4.557461
  C      -7.202821     -5.618347      3.041991
  C      -7.955507     -6.713656      3.560904
  C      -9.269648     -6.582717      3.961601
  C      -9.928089     -5.344048      3.867191
  C      -9.246885     -4.261870      3.353843
  C      -7.897233     -4.347653      2.918206
  C      -7.228595     -3.182599      2.414436
  O      -5.941078     -3.118001      2.320283
  C      -7.876921     -1.948644      1.960122
  F      -9.195711     -2.100517      1.631352
  S      -7.168317     -0.490293      1.775715
  C      -2.692113     -4.090223      5.505935
  C      -1.389839     -3.775599      5.964412
  C      -1.181922     -2.984139      7.086899
  C      -2.267733     -2.458505      7.796433
  C      -3.556749     -2.779770      7.394371
  C      -3.797767     -3.615454      6.287221
  C      -5.135121     -4.034082      5.912904
  O      -5.427506     -4.419897      4.726129
  C      -6.232047     -4.181120      6.882230
  F      -7.417998     -4.370770      6.241696
  S      -6.200560     -4.243755      8.513729
  H      -0.546392     -3.429363      0.550600
  H       1.353387     -1.958643      1.087271
  H       1.210435     -0.374675      3.022614
  H      -0.893354     -0.159904      4.284153
  H      -7.468538     -7.675149      3.704000
  H      -9.787114     -7.448062      4.380511
  H     -10.953541     -5.230585      4.218997
  H      -9.747385     -3.298675      3.315924
  H      -0.526120     -4.106195      5.389768
  H      -0.160296     -2.744667      7.387947
  H      -2.109162     -1.799343      8.650121
  H      -4.407940     -2.371645      7.934290
  N      -4.443252     -4.531936      0.730992
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.005928938480
  N      -2.844655     -3.514094      1.855800
  C      -3.015314     -4.326481      0.653997
  C      -2.413747     -5.705399      0.934934
  N      -3.208710     -6.246339      2.073964
  C      -4.236636     -7.216610      1.628917
  C      -5.421109     -7.165508      2.559441
  N      -5.900451     -5.791285      2.682863
  Mo     -4.411004     -4.278105      2.900045
  N      -2.899048     -4.813717      4.348318
  C      -1.772606     -5.617596      3.902800
  C      -2.352869     -6.785953      3.140927
  H      -1.195110     -5.990846      4.761873
  H      -1.072748     -5.048572      3.262591
  H      -2.981730     -7.380252      3.817351
  H      -1.570389     -7.439595      2.719138
  H      -6.205822     -7.814183      2.139354
  H      -5.162108     -7.574809      3.556427
  H      -4.555096     -6.915468      0.626729
  H      -3.805186     -8.231933      1.594652
  H      -2.625855     -3.865753     -0.272194
  H      -4.927131     -3.690824      0.401416
  H      -1.352658     -5.651320      1.207745
  H      -2.521045     -6.356488      0.056164
  C      -1.832553     -2.664513      2.121389
  C      -0.643591     -2.696309      1.339894
  C       0.428313     -1.885750      1.649530
  C       0.359043     -1.001455      2.746859
  C      -0.810158     -0.891421      3.472100
  C      -1.950476     -1.677260      3.169452
  C      -3.215064     -1.513037      3.829990
  O      -4.128005     -2.423390      3.835987
  C      -3.624373     -0.286812      4.536932
  F      -4.831757     -0.470521      5.135477
  S      -2.931732      1.189747      4.633229
  C      -7.202862     -5.621927      3.045126
  C      -7.952048     -6.716874      3.569951
  C      -9.269973     -6.591155      3.959078
  C      -9.935868     -5.357882      3.846211
  C      -9.256788     -4.275466      3.330904
  C      -7.902068     -4.355140      2.908928
  C      -7.234848     -3.187828      2.409227
  O      -5.946944     -3.116358      2.321391
  C      -7.884899     -1.951997      1.961251
  F      -9.192308     -2.112225      1.592421
  S      -7.183322     -0.487221      1.806780
  C      -2.695814     -4.082558      5.504924
  C      -1.393373     -3.764795      5.960415
  C      -1.184993     -2.971686      7.081731
  C      -2.270390     -2.447139      7.792474
  C      -3.559499     -2.770525      7.392444
  C      -3.800719     -3.607000      6.286043
  C      -5.138777     -4.022865      5.911171
  O      -5.434023     -4.403513      4.723984
  C      -6.234992     -4.167624      6.881809
  F      -7.425350     -4.333854      6.243159
  S      -6.196981     -4.251575      8.512046
  H      -0.568117     -3.406060      0.516408
  H       1.343308     -1.952563      1.058296
  H       1.227405     -0.402581      3.022845
  H      -0.864167     -0.197478      4.306698
  H      -7.459048     -7.673190      3.727005
  H      -9.784703     -7.455559      4.383201
  H     -10.965710     -5.248184      4.186145
  H      -9.763940     -3.316430      3.280694
  H      -0.529799     -4.094263      5.385014
  H      -0.163278     -2.729990      7.380582
  H      -2.111387     -1.786739      8.645015
  H      -4.410662     -2.361985      7.932196
  N      -4.449118     -4.539159      0.728775
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.006095543590
  N      -2.855543     -3.505999      1.842224
  C      -3.029452     -4.326048      0.644511
  C      -2.413730     -5.697359      0.941860
  N      -3.209972     -6.238022      2.079003
  C      -4.234104     -7.212940      1.635743
  C      -5.412788     -7.166658      2.573907
  N      -5.895632     -5.793879      2.696686
  Mo     -4.409679     -4.274283      2.896662
  N      -2.906143     -4.807533      4.352404
  C      -1.774933     -5.605129      3.906575
  C      -2.350477     -6.776069      3.145255
  H      -1.195206     -5.975886      4.765246
  H      -1.079179     -5.031601      3.266401
  H      -2.976151     -7.372732      3.822325
  H      -1.567056     -7.426714      2.721077
  H      -6.198044     -7.819768      2.162211
  H      -5.144171     -7.572009      3.569931
  H      -4.558054     -6.910299      0.635860
  H      -3.797258     -8.225740      1.598412
  H      -2.645783     -3.875696     -0.289140
  H      -4.950489     -3.705838      0.403724
  H      -1.357471     -5.622116      1.227633
  H      -2.494434     -6.357900      0.066830
  C      -1.838668     -2.660847      2.104323
  C      -0.661176     -2.683209      1.305587
  C       0.421876     -1.889523      1.620377
  C       0.375634     -1.033662      2.741176
  C      -0.783410     -0.929857      3.483399
  C      -1.936312     -1.694497      3.173996
  C      -3.195390     -1.525430      3.843380
  O      -4.128371     -2.416109      3.820572
  C      -3.580138     -0.314693      4.588707
  F      -4.799995     -0.485951      5.166120
  S      -2.849853      1.138605      4.749422
  C      -7.200774     -5.627166      3.048037
  C      -7.946748     -6.720386      3.581307
  C      -9.270700     -6.600827      3.950983
  C      -9.946455     -5.375684      3.807810
  C      -9.268712     -4.294227      3.289410
  C      -7.906176     -4.366705      2.891511
  C      -7.241879     -3.197517      2.395749
  O      -5.954351     -3.113416      2.318167
  C      -7.901078     -1.962703      1.955622
  F      -9.208116     -2.131955      1.587872
  S      -7.235228     -0.475626      1.890116
  C      -2.700656     -4.067808      5.504355
  C      -1.398264     -3.747692      5.957404
  C      -1.189578     -2.953954      7.078454
  C      -2.274565     -2.431040      7.790608
  C      -3.563686     -2.755580      7.391602
  C      -3.804761     -3.591421      6.284842
  C      -5.144109     -4.001333      5.907848
  O      -5.442611     -4.375923      4.720236
  C      -6.239858     -4.141944      6.879343
  F      -7.434675     -4.281183      6.242819
  S      -6.192300     -4.265209      8.506626
  H      -0.602679     -3.373217      0.464254
  H       1.327787     -1.948710      1.014622
  H       1.253369     -0.450479      3.021005
  H      -0.820629     -0.256734      4.335687
  H      -7.446268     -7.668987      3.760562
  H      -9.783088     -7.462803      4.382655
  H     -10.983297     -5.270984      4.127303
  H      -9.784559     -3.340889      3.216853
  H      -0.534611     -4.076269      5.381773
  H      -0.167843     -2.710740      7.375758
  H      -2.115182     -1.770520      8.642884
  H      -4.414980     -2.347329      7.931508
  N      -4.458622     -4.550887      0.720448
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.006386005317
  N      -2.868880     -3.496947      1.833048
  C      -3.044570     -4.322257      0.639344
  C      -2.417636     -5.687832      0.942146
  N      -3.211877     -6.228716      2.080610
  C      -4.233280     -7.207260      1.638802
  C      -5.407995     -7.165301      2.582055
  N      -5.892883     -5.793526      2.706717
  Mo     -4.410671     -4.269789      2.897852
  N      -2.910182     -4.799826      4.353704
  C      -1.776542     -5.594301      3.907472
  C      -2.348640     -6.766200      3.144881
  H      -1.196719     -5.964931      4.766168
  H      -1.082096     -5.017653      3.269021
  H      -2.970815     -7.366573      3.821758
  H      -1.563964     -7.413008      2.717573
  H      -6.193987     -7.820184      2.175016
  H      -5.133127     -7.569796      3.576674
  H      -4.561380     -6.904014      0.640529
  H      -3.791979     -8.217998      1.599370
  H      -2.663360     -3.874218     -0.296851
  H      -4.960540     -3.708417      0.395673
  H      -1.363956     -5.596963      1.232850
  H      -2.483764     -6.355573      0.071266
  C      -1.847469     -2.656925      2.093752
  C      -0.678030     -2.673198      1.283321
  C       0.413896     -1.893506      1.602520
  C       0.384705     -1.059147      2.739877
  C      -0.767345     -0.958609      3.493356
  C      -1.930182     -1.705856      3.178507
  C      -3.185012     -1.533486      3.855116
  O      -4.132774     -2.409077      3.811234
  C      -3.551498     -0.335700      4.628786
  F      -4.784063     -0.493117      5.183605
  S      -2.788092      1.093460      4.847935
  C      -7.199810     -5.629987      3.051624
  C      -7.941572     -6.723226      3.590881
  C      -9.267215     -6.608105      3.955157
  C      -9.948736     -5.387417      3.800688
  C      -9.274588     -4.305800      3.278336
  C      -7.910067     -4.373684      2.885372
  C      -7.248410     -3.203231      2.388966
  O      -5.961928     -3.110187      2.316422
  C      -7.913561     -1.972461      1.943367
  F      -9.193366     -2.164556      1.498085
  S      -7.254447     -0.483573      1.872803
  C      -2.703259     -4.057628      5.505161
  C      -1.400933     -3.737770      5.957625
  C      -1.191838     -2.946086      7.080295
  C      -2.276393     -2.425429      7.794433
  C      -3.565549     -2.749352      7.395231
  C      -3.806724     -3.582252      6.286346
  C      -5.147324     -3.986967      5.908255
  O      -5.448660     -4.358015      4.720699
  C      -6.242151     -4.125100      6.880801
  F      -7.440940     -4.239802      6.247063
  S      -6.187723     -4.270184      8.505950
  H      -0.632319     -3.347885      0.428982
  H       1.313456     -1.947884      0.987016
  H       1.269827     -0.488950      3.023104
  H      -0.792084     -0.301326      4.358181
  H      -7.435520     -7.666946      3.780279
  H      -9.776174     -7.469112      4.392663
  H     -10.987500     -5.285994      4.114809
  H      -9.795190     -3.355754      3.199012
  H      -0.537327     -4.065293      5.381471
  H      -0.170053     -2.703081      7.377358
  H      -2.116633     -1.766809      8.648088
  H      -4.416795     -2.343013      7.936715
  N      -4.471223     -4.553937      0.713501
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.006528636397
  N      -2.874362     -3.494277      1.830691
  C      -3.049267     -4.320198      0.638384
  C      -2.419904     -5.684527      0.937559
  N      -3.210892     -6.224890      2.079587
  C      -4.231028     -7.205969      1.638876
  C      -5.405813     -7.165535      2.581928
  N      -5.891430     -5.793879      2.707763
  Mo     -4.411521     -4.268895      2.899408
  N      -2.909113     -4.794405      4.351356
  C      -1.775223     -5.589662      3.906476
  C      -2.345822     -6.761492      3.142664
  H      -1.197275     -5.961006      4.766102
  H      -1.079056     -5.013069      3.269792
  H      -2.966043     -7.364531      3.819019
  H      -1.559791     -7.405693      2.713996
  H      -6.191595     -7.820071      2.174020
  H      -5.131186     -7.571044      3.576190
  H      -4.560041     -6.904468      0.640391
  H      -3.787464     -8.215764      1.600336
  H      -2.667756     -3.867712     -0.295885
  H      -4.957064     -3.704379      0.390378
  H      -1.365118     -5.591640      1.224246
  H      -2.489869     -6.354823      0.069252
  C      -1.850720     -2.657340      2.092453
  C      -0.682609     -2.674184      1.280051
  C       0.412685     -1.900007      1.601034
  C       0.388094     -1.070789      2.742166
  C      -0.762679     -0.969020      3.497522
  C      -1.929273     -1.709696      3.180704
  C      -3.183224     -1.536256      3.859287
  O      -4.135972     -2.407086      3.807653
  C      -3.545107     -0.343591      4.642433
  F      -4.786096     -0.493884      5.180919
  S      -2.764602      1.070444      4.899446
  C      -7.199073     -5.631932      3.051235
  C      -7.940778     -6.725388      3.590229
  C      -9.265740     -6.609369      3.956917
  C      -9.946763     -5.387987      3.805221
  C      -9.273139     -4.306734      3.281507
  C      -7.909728     -4.376048      2.885224
  C      -7.249362     -3.206411      2.385474
  O      -5.963814     -3.110682      2.312608
  C      -7.919635     -1.980507      1.932579
  F      -9.196413     -2.183363      1.483186
  S      -7.269607     -0.488254      1.860038
  C      -2.703715     -4.054251      5.505017
  C      -1.401879     -3.734131      5.958487
  C      -1.193725     -2.940852      7.080234
  C      -2.278792     -2.419120      7.792756
  C      -3.567531     -2.743715      7.392991
  C      -3.807820     -3.578318      6.285059
  C      -5.148459     -3.983806      5.908123
  O      -5.449891     -4.357668      4.721554
  C      -6.243584     -4.120307      6.880875
  F      -7.443443     -4.225446      6.247684
  S      -6.189335     -4.259621      8.506548
  H      -0.640616     -3.345036      0.422506
  H       1.311131     -1.954993      0.983918
  H       1.275925     -0.505639      3.027129
  H      -0.783884     -0.315698      4.365374
  H      -7.434884     -7.669511      3.778078
  H      -9.774649     -7.470324      4.394634
  H     -10.984624     -5.286071      4.122189
  H      -9.792764     -3.355881      3.203791
  H      -0.537763     -4.061819      5.383250
  H      -0.172182     -2.697085      7.377513
  H      -2.119749     -1.758798      8.645214
  H      -4.419155     -2.336822      7.933360
  N      -4.475861     -4.552314      0.711732
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.006722534536
  N      -2.889860     -3.485529      1.821902
  C      -3.062940     -4.313932      0.634023
  C      -2.425684     -5.673675      0.926969
  N      -3.208219     -6.211104      2.079116
  C      -4.223872     -7.201058      1.642443
  C      -5.398746     -7.164828      2.585219
  N      -5.887360     -5.793624      2.712778
  Mo     -4.413995     -4.264428      2.902480
  N      -2.907001     -4.774172      4.344519
  C      -1.771734     -5.571738      3.904939
  C      -2.337851     -6.744155      3.139286
  H      -1.199213     -5.943742      4.767834
  H      -1.070778     -4.996159      3.272466
  H      -2.952468     -7.354248      3.814630
  H      -1.547942     -7.381172      2.707216
  H      -6.183534     -7.819350      2.175535
  H      -5.124467     -7.571765      3.578989
  H      -4.556026     -6.905579      0.643233
  H      -3.772619     -8.207521      1.607109
  H      -2.682231     -3.851408     -0.296339
  H      -4.953152     -3.695188      0.384585
  H      -1.368180     -5.574563      1.203051
  H      -2.506189     -6.352703      0.067273
  C      -1.859323     -2.657717      2.085863
  C      -0.697480     -2.675308      1.264269
  C       0.408902     -1.918397      1.587986
  C       0.401005     -1.105996      2.741063
  C      -0.743579     -1.001831      3.505710
  C      -1.922454     -1.722411      3.186486
  C      -3.172811     -1.545971      3.873053
  O      -4.143428     -2.398316      3.791675
  C      -3.517615     -0.375768      4.695049
  F      -4.795249     -0.487441      5.154178
  S      -2.688792      0.983026      5.077375
  C      -7.196772     -5.635897      3.051936
  C      -7.938439     -6.728917      3.592134
  C      -9.261615     -6.609539      3.964757
  C      -9.941328     -5.386574      3.817835
  C      -9.269118     -4.307536      3.287954
  C      -7.908590     -4.381677      2.883301
  C      -7.252497     -3.215337      2.370902
  O      -5.969809     -3.110377      2.297102
  C      -7.939008     -2.004485      1.896348
  F      -9.206312     -2.240641      1.435816
  S      -7.318826     -0.501479      1.821214
  C      -2.706954     -4.039444      5.504424
  C      -1.406644     -3.722447      5.964037
  C      -1.201379     -2.926488      7.084558
  C      -2.287991     -2.399662      7.790928
  C      -3.575393     -2.723173      7.386832
  C      -3.813084     -3.561153      6.280422
  C      -5.154026     -3.967280      5.905912
  O      -5.455464     -4.351559      4.722747
  C      -6.251014     -4.097512      6.878560
  F      -7.445886     -4.227682      6.241328
  S      -6.193856     -4.266969      8.501103
  H      -0.669182     -3.333324      0.396294
  H       1.302047     -1.974222      0.963161
  H       1.297361     -0.555702      3.028793
  H      -0.752121     -0.360338      4.382320
  H      -7.433088     -7.673891      3.777497
  H      -9.770684     -7.469496      4.404433
  H     -10.976751     -5.282762      4.142186
  H      -9.786126     -3.354722      3.211806
  H      -0.540585     -4.052516      5.393191
  H      -0.180446     -2.683631      7.384743
  H      -2.131221     -1.735894      8.641194
  H      -4.428262     -2.313185      7.922674
  N      -4.489484     -4.549956      0.708029
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.006940937939
  N      -2.902894     -3.477935      1.810293
  C      -3.075266     -4.309341      0.625431
  C      -2.428306     -5.663513      0.921022
  N      -3.206331     -6.199088      2.078588
  C      -4.216664     -7.197805      1.645291
  C      -5.390251     -7.166579      2.589807
  N      -5.883145     -5.796543      2.717625
  Mo     -4.415543     -4.262077      2.900251
  N      -2.907526     -4.757431      4.337747
  C      -1.769401     -5.554581      3.902392
  C      -2.331163     -6.728617      3.136862
  H      -1.199611     -5.925195      4.767600
  H      -1.066888     -4.979026      3.271780
  H      -2.940977     -7.343779      3.812043
  H      -1.538412     -7.360087      2.702028
  H      -6.173621     -7.823230      2.180882
  H      -5.113685     -7.572586      3.583290
  H      -4.552745     -6.906639      0.646186
  H      -3.757477     -8.200586      1.611378
  H      -2.698270     -3.845211     -0.305697
  H      -4.962661     -3.694931      0.390712
  H      -1.370718     -5.555830      1.193856
  H      -2.509469     -6.350241      0.067891
  C      -1.867061     -2.656650      2.075816
  C      -0.714336     -2.668021      1.241176
  C       0.401969     -1.926568      1.566357
  C       0.412201     -1.135485      2.733932
  C      -0.723255     -1.036355      3.512784
  C      -1.912566     -1.740269      3.193974
  C      -3.157624     -1.564380      3.891278
  O      -4.147160     -2.393090      3.772733
  C      -3.479592     -0.428689      4.767421
  F      -4.780047     -0.504643      5.169714
  S      -2.598368      0.844810      5.301159
  C      -7.193652     -5.642898      3.052698
  C      -7.933778     -6.735342      3.596235
  C      -9.256917     -6.615549      3.968888
  C      -9.938664     -5.393902      3.818007
  C      -9.268624     -4.316655      3.282080
  C      -7.908327     -4.391787      2.876867
  C      -7.257191     -3.227474      2.354243
  O      -5.976761     -3.111756      2.280743
  C      -7.958309     -2.027818      1.867150
  F      -9.216994     -2.289953      1.396578
  S      -7.368307     -0.513553      1.806855
  C      -2.712016     -4.023187      5.500064
  C      -1.413308     -3.708684      5.965775
  C      -1.211277     -2.910232      7.085289
  C      -2.299595     -2.379572      7.786193
  C      -3.585487     -2.702330      7.377472
  C      -3.819971     -3.541567      6.271133
  C      -5.160834     -3.947894      5.898649
  O      -5.462977     -4.342022      4.718942
  C      -6.258026     -4.067749      6.873248
  F      -7.458922     -4.156572      6.240551
  S      -6.199712     -4.208573      8.498411
  H      -0.700921     -3.309097      0.360343
  H       1.287362     -1.977245      0.930132
  H       1.315574     -0.596797      3.021896
  H      -0.718665     -0.408700      4.399352
  H      -7.426830     -7.678931      3.784705
  H      -9.765130     -7.474367      4.411833
  H     -10.973812     -5.290480      4.143313
  H      -9.786560     -3.364445      3.200996
  H      -0.545023     -4.041096      5.399777
  H      -0.191065     -2.668399      7.388647
  H      -2.145362     -1.713613      8.635214
  H      -4.440208     -2.290637      7.909275
  N      -4.500287     -4.554172      0.703272
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.007101538540
  N      -2.901392     -3.477986      1.806583
  C      -3.073382     -4.310775      0.622098
  C      -2.425085     -5.663671      0.924002
  N      -3.206156     -6.198225      2.079701
  C      -4.215236     -7.198455      1.646542
  C      -5.389309     -7.166970      2.590711
  N      -5.883021     -5.797236      2.716869
  Mo     -4.414733     -4.262227      2.896836
  N      -2.908866     -4.753797      4.337184
  C      -1.770268     -5.552255      3.903950
  C      -2.332064     -6.726769      3.139896
  H      -1.201543     -5.921744      4.770238
  H      -1.067278     -4.978229      3.272772
  H      -2.942994     -7.340466      3.815359
  H      -1.539510     -7.359545      2.706505
  H      -6.172045     -7.824623      2.182013
  H      -5.112913     -7.571399      3.584831
  H      -4.551060     -6.908229      0.647107
  H      -3.754984     -8.200704      1.613569
  H      -2.697964     -3.852005     -0.311977
  H      -4.967335     -3.698913      0.398938
  H      -1.368703     -5.555578      1.200146
  H      -2.503434     -6.351101      0.070892
  C      -1.866047     -2.655638      2.071434
  C      -0.717305     -2.662617      1.231240
  C       0.398821     -1.918725      1.551473
  C       0.411595     -1.127365      2.718786
  C      -0.719563     -1.034232      3.504457
  C      -1.907172     -1.744604      3.193974
  C      -3.148942     -1.572432      3.897302
  O      -4.144900     -2.392075      3.764310
  C      -3.461424     -0.450519      4.793433
  F      -4.770484     -0.506390      5.172696
  S      -2.558101      0.781496      5.384732
  C      -7.192548     -5.643199      3.053612
  C      -7.931866     -6.735269      3.598929
  C      -9.254515     -6.615211      3.972898
  C      -9.936822     -5.393912      3.821215
  C      -9.267790     -4.317315      3.282835
  C      -7.907656     -4.392409      2.876752
  C      -7.258177     -3.228955      2.350252
  O      -5.978022     -3.111559      2.273500
  C      -7.961948     -2.030245      1.862924
  F      -9.219340     -2.295184      1.390773
  S      -7.373628     -0.515697      1.799362
  C      -2.715828     -4.020413      5.500128
  C      -1.417721     -3.709301      5.970397
  C      -1.217198     -2.911055      7.090242
  C      -2.306373     -2.378024      7.788209
  C      -3.591521     -2.698498      7.376022
  C      -3.824939     -3.537215      6.268977
  C      -5.165238     -3.942154      5.893980
  O      -5.465354     -4.339696      4.714430
  C      -6.265129     -4.059018      6.865963
  F      -7.464115     -4.147343      6.229444
  S      -6.213034     -4.198486      8.491472
  H      -0.707212     -3.301345      0.348665
  H       1.280679     -1.965348      0.910070
  H       1.313252     -0.582632      3.000758
  H      -0.713870     -0.405180      4.390495
  H      -7.424726     -7.678755      3.787536
  H      -9.762142     -7.473697      4.417165
  H     -10.971550     -5.290467      4.147790
  H      -9.786292     -3.365531      3.200605
  H      -0.548386     -4.042374      5.406461
  H      -0.197302     -2.670460      7.395531
  H      -2.153326     -1.710806      8.636387
  H      -4.446802     -2.283418      7.904026
  N      -4.498200     -4.559067      0.702021
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.007356238412
  N      -2.896072     -3.479639      1.799491
  C      -3.066104     -4.316137      0.615987
  C      -2.417065     -5.666866      0.931432
  N      -3.205044     -6.198245      2.082948
  C      -4.211388     -7.201506      1.650237
  C      -5.388763     -7.167486      2.590581
  N      -5.883635     -5.798102      2.711382
  Mo     -4.412394     -4.263170      2.889498
  N      -2.909730     -4.743369      4.334532
  C      -1.770244     -5.544098      3.905334
  C      -2.333303     -6.721992      3.148496
  H      -1.201997     -5.908857      4.773628
  H      -1.068160     -4.973838      3.270319
  H      -2.946505     -7.330291      3.826694
  H      -1.541578     -7.359122      2.719775
  H      -6.169313     -7.827209      2.180645
  H      -5.115653     -7.568036      3.587032
  H      -4.544155     -6.914992      0.648743
  H      -3.749971     -8.203209      1.622002
  H      -2.693561     -3.869832     -0.324497
  H      -4.970807     -3.705546      0.414661
  H      -1.362886     -5.560935      1.214146
  H      -2.491602     -6.354471      0.077513
  C      -1.863676     -2.652910      2.062548
  C      -0.723372     -2.652234      1.210755
  C       0.391893     -1.902039      1.517980
  C       0.409889     -1.108583      2.683533
  C      -0.710964     -1.028812      3.485003
  C      -1.895884     -1.751958      3.193808
  C      -3.130790     -1.591681      3.913476
  O      -4.139805     -2.390947      3.746021
  C      -3.432653     -0.507079      4.856616
  F      -4.766629     -0.502137      5.148623
  S      -2.503642      0.629981      5.583476
  C      -7.190150     -5.642077      3.054134
  C      -7.928761     -6.733487      3.601761
  C      -9.248971     -6.611067      3.982530
  C      -9.930215     -5.388569      3.835095
  C      -9.262917     -4.313473      3.292023
  C      -7.904809     -4.390373      2.878874
  C      -7.258591     -3.229485      2.342836
  O      -5.979089     -3.110662      2.254586
  C      -7.967115     -2.032866      1.853717
  F      -9.225449     -2.300548      1.386996
  S      -7.376896     -0.520237      1.771668
  C      -2.723399     -4.013565      5.498652
  C      -1.426630     -3.707399      5.977486
  C      -1.229816     -2.910819      7.098502
  C      -2.321258     -2.378075      7.793691
  C      -3.604575     -2.695268      7.375113
  C      -3.835570     -3.528988      6.263655
  C      -5.173543     -3.933058      5.883162
  O      -5.467691     -4.339905      4.703648
  C      -6.279768     -4.042154      6.848376
  F      -7.473010     -4.143299      6.202293
  S      -6.244783     -4.165850      8.475736
  H      -0.720113     -3.288938      0.326732
  H       1.266457     -1.942327      0.866317
  H       1.307135     -0.549587      2.951429
  H      -0.701834     -0.398187      4.370430
  H      -7.423204     -7.678512      3.786537
  H      -9.755865     -7.469061      4.428533
  H     -10.962505     -5.283721      4.168617
  H      -9.780632     -3.361261      3.212066
  H      -0.555079     -4.038819      5.416138
  H      -0.210810     -2.670950      7.406925
  H      -2.170832     -1.709869      8.641116
  H      -4.461231     -2.276691      7.897742
  N      -4.490352     -4.568751      0.698897
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.007448161230
  N      -2.885446     -3.487431      1.795406
  C      -3.052676     -4.329659      0.614873
  C      -2.407973     -5.680060      0.942137
  N      -3.202769     -6.205378      2.090982
  C      -4.208497     -7.209046      1.659115
  C      -5.391677     -7.167481      2.591862
  N      -5.884719     -5.796996      2.703806
  Mo     -4.407723     -4.265297      2.885018
  N      -2.908337     -4.735141      4.335790
  C      -1.769352     -5.539566      3.910786
  C      -2.335479     -6.722388      3.163977
  H      -1.200704     -5.898552      4.780976
  H      -1.068545     -4.974283      3.270274
  H      -2.952703     -7.321587      3.846596
  H      -1.545459     -7.366894      2.743004
  H      -6.170302     -7.828245      2.179657
  H      -5.125665     -7.563446      3.592005
  H      -4.534499     -6.928116      0.653808
  H      -3.749724     -8.212141      1.639413
  H      -2.679990     -3.894292     -0.330280
  H      -4.959227     -3.713811      0.417995
  H      -1.354784     -5.579443      1.229233
  H      -2.481897     -6.367596      0.087760
  C      -1.860042     -2.650090      2.050074
  C      -0.725326     -2.645869      1.190511
  C       0.381327     -1.875298      1.476507
  C       0.393999     -1.060109      2.626872
  C      -0.719228     -0.990541      3.439381
  C      -1.892757     -1.742644      3.175582
  C      -3.119411     -1.598299      3.912944
  O      -4.133120     -2.390939      3.733367
  C      -3.408640     -0.543121      4.891772
  F      -4.746539     -0.520579      5.169043
  S      -2.456367      0.500980      5.720134
  C      -7.188501     -5.635938      3.051962
  C      -7.930098     -6.725414      3.599833
  C      -9.247587     -6.597482      3.987342
  C      -9.923806     -5.371364      3.846746
  C      -9.254838     -4.298678      3.301502
  C      -7.899436     -4.380940      2.880186
  C      -7.252473     -3.223949      2.337142
  O      -5.973050     -3.110179      2.237590
  C      -7.959055     -2.026660      1.845782
  F      -9.224903     -2.286593      1.397118
  S      -7.355980     -0.520387      1.737531
  C      -2.729341     -4.010488      5.502147
  C      -1.434533     -3.707824      5.990526
  C      -1.243445     -2.921224      7.119004
  C      -2.338533     -2.398445      7.816870
  C      -3.619301     -2.709927      7.388171
  C      -3.845968     -3.529724      6.265507
  C      -5.180443     -3.933135      5.875832
  O      -5.464733     -4.344978      4.694142
  C      -6.294347     -4.041251      6.831042
  F      -7.477641     -4.178798      6.172371
  S      -6.280158     -4.156977      8.459605
  H      -0.720747     -3.294395      0.315195
  H       1.251125     -1.912818      0.818427
  H       1.280293     -0.474526      2.873601
  H      -0.714822     -0.344036      4.313715
  H      -7.429352     -7.673836      3.779463
  H      -9.756343     -7.454302      4.433434
  H     -10.953308     -5.262442      4.187345
  H      -9.768533     -3.344111      3.226456
  H      -0.560147     -4.032910      5.429924
  H      -0.225981     -2.682750      7.433281
  H      -2.192127     -1.738292      8.671184
  H      -4.478196     -2.296010      7.910642
  N      -4.476878     -4.579101      0.697432
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.007470441482
  N      -2.869983     -3.500393      1.802516
  C      -3.036347     -4.344341      0.622915
  C      -2.401306     -5.698360      0.952643
  N      -3.201093     -6.220332      2.098563
  C      -4.210326     -7.218221      1.665049
  C      -5.399094     -7.167814      2.590078
  N      -5.887625     -5.795459      2.695728
  Mo     -4.402701     -4.270160      2.887338
  N      -2.905006     -4.742543      4.342984
  C      -1.768226     -5.548775      3.916836
  C      -2.339156     -6.734496      3.176933
  H      -1.196283     -5.904786      4.786057
  H      -1.070265     -4.985985      3.271025
  H      -2.961379     -7.324548      3.862993
  H      -1.551972     -7.386956      2.762717
  H      -6.177315     -7.827329      2.174979
  H      -5.140607     -7.561976      3.593001
  H      -4.528307     -6.938911      0.656652
  H      -3.759020     -8.224931      1.651150
  H      -2.660718     -3.913170     -0.323026
  H      -4.939666     -3.719200      0.410779
  H      -1.347835     -5.605993      1.241801
  H      -2.476470     -6.381887      0.095012
  C      -1.853376     -2.650582      2.047780
  C      -0.715557     -2.648811      1.191874
  C       0.376072     -1.850934      1.459724
  C       0.369724     -1.002023      2.585672
  C      -0.745145     -0.934792      3.395633
  C      -1.900485     -1.721829      3.154017
  C      -3.122993     -1.587335      3.898646
  O      -4.127225     -2.396064      3.741786
  C      -3.412028     -0.520107      4.864758
  F      -4.745562     -0.505750      5.160969
  S      -2.456865      0.562266      5.636435
  C      -7.189792     -5.628433      3.047231
  C      -7.936631     -6.716952      3.590427
  C      -9.252759     -6.584700      3.980705
  C      -9.922643     -5.354281      3.848319
  C      -9.249053     -4.282049      3.308188
  C      -7.895098     -4.368500      2.882880
  C      -7.242724     -3.212683      2.344364
  O      -5.962099     -3.109711      2.239611
  C      -7.937754     -2.006992      1.859823
  F      -9.216320     -2.242899      1.436114
  S      -7.310348     -0.510787      1.734552
  C      -2.728701     -4.022720      5.510799
  C      -1.434471     -3.718055      6.000805
  C      -1.246365     -2.944570      7.138368
  C      -2.343814     -2.438628      7.845563
  C      -3.623509     -2.748396      7.412828
  C      -3.847882     -3.551932      6.278404
  C      -5.179724     -3.955044      5.880088
  O      -5.455778     -4.359156      4.693051
  C      -6.298101     -4.074704      6.827280
  F      -7.476069     -4.225141      6.160681
  S      -6.301251     -4.175560      8.457381
  H      -0.697465     -3.319589      0.333676
  H       1.248482     -1.890671      0.805275
  H       1.241667     -0.388378      2.814561
  H      -0.755238     -0.264809      4.252415
  H      -7.441391     -7.669198      3.764295
  H      -9.764968     -7.441513      4.422842
  H     -10.950869     -5.241672      4.191628
  H      -9.758014     -3.324587      3.240484
  H      -0.559306     -4.032983      5.435461
  H      -0.229900     -2.704893      7.455013
  H      -2.199496     -1.791246      8.710046
  H      -4.483520     -2.345853      7.942164
  N      -4.462395     -4.583432      0.701093
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.007682612940
  N      -2.876362     -3.500487      1.798776
  C      -3.044000     -4.347966      0.623027
  C      -2.404063     -5.698907      0.952944
  N      -3.200080     -6.218090      2.104073
  C      -4.207953     -7.218891      1.672305
  C      -5.397284     -7.168676      2.596400
  N      -5.885894     -5.795858      2.700242
  Mo     -4.400557     -4.270568      2.892181
  N      -2.904145     -4.737100      4.345563
  C      -1.766242     -5.542340      3.920164
  C      -2.335635     -6.730022      3.181504
  H      -1.193450     -5.897145      4.789334
  H      -1.069703     -4.978526      3.273864
  H      -2.955701     -7.321107      3.868666
  H      -1.547658     -7.380855      2.766459
  H      -6.175485     -7.828436      2.181960
  H      -5.139026     -7.562196      3.599738
  H      -4.526026     -6.942282      0.663202
  H      -3.754312     -8.224605      1.660937
  H      -2.668852     -3.913511     -0.322202
  H      -4.935296     -3.721001      0.404385
  H      -1.350381     -5.597273      1.239757
  H      -2.476040     -6.389413      0.101068
  C      -1.858415     -2.650625      2.040682
  C      -0.727880     -2.642168      1.174773
  C       0.366052     -1.846441      1.439121
  C       0.369100     -1.004756      2.570546
  C      -0.738112     -0.944162      3.391383
  C      -1.895352     -1.731068      3.156219
  C      -3.111502     -1.603335      3.913283
  O      -4.125866     -2.396509      3.738093
  C      -3.383019     -0.564308      4.914538
  F      -4.722557     -0.506356      5.177135
  S      -2.408482      0.453481      5.748385
  C      -7.189955     -5.629254      3.044402
  C      -7.939424     -6.716383      3.587374
  C      -9.256475     -6.582130      3.973728
  C      -9.925122     -5.351146      3.837471
  C      -9.249136     -4.280584      3.297531
  C      -7.894249     -4.369601      2.875422
  C      -7.240504     -3.215265      2.337133
  O      -5.960967     -3.108795      2.235847
  C      -7.940065     -2.012831      1.848332
  F      -9.210703     -2.260748      1.407477
  S      -7.327267     -0.509907      1.742468
  C      -2.729655     -4.015332      5.513521
  C      -1.436415     -3.701280      5.999700
  C      -1.250755     -2.923498      7.134804
  C      -2.349885     -2.420919      7.841782
  C      -3.628568     -2.737694      7.411132
  C      -3.850463     -3.546694      6.280128
  C      -5.181680     -3.954218      5.882568
  O      -5.455442     -4.356455      4.694818
  C      -6.300892     -4.080532      6.828136
  F      -7.480452     -4.211909      6.160204
  S      -6.306381     -4.188997      8.457980
  H      -0.717367     -3.305568      0.310809
  H       1.232342     -1.880841      0.776217
  H       1.242109     -0.390889      2.794858
  H      -0.740739     -0.279431      4.252069
  H      -7.444756     -7.668207      3.765504
  H      -9.770568     -7.437432      4.416664
  H     -10.954341     -5.237107      4.177420
  H      -9.756746     -3.322278      3.227243
  H      -0.560561     -4.012138      5.433122
  H      -0.235197     -2.676477      7.448767
  H      -2.207559     -1.771716      8.705430
  H      -4.489529     -2.337609      7.940329
  N      -4.469895     -4.587874      0.699533
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.007817466514
  N      -2.871099     -3.508494      1.798190
  C      -3.039844     -4.362766      0.627747
  C      -2.400920     -5.711699      0.964475
  N      -3.197472     -6.223441      2.118734
  C      -4.205999     -7.224985      1.689795
  C      -5.399088     -7.167853      2.608550
  N      -5.885876     -5.793612      2.702180
  Mo     -4.393936     -4.272313      2.897590
  N      -2.900336     -4.732813      4.353541
  C      -1.761857     -5.536937      3.929137
  C      -2.333085     -6.729829      3.198749
  H      -1.184863     -5.886224      4.797792
  H      -1.069791     -4.974598      3.276937
  H      -2.953865     -7.314919      3.890406
  H      -1.546445     -7.384681      2.787589
  H      -6.176475     -7.829068      2.195059
  H      -5.145270     -7.556042      3.615187
  H      -4.519696     -6.954120      0.677773
  H      -3.754110     -8.231564      1.686298
  H      -2.664895     -3.932185     -0.319438
  H      -4.924767     -3.731250      0.402980
  H      -1.347508     -5.605365      1.251299
  H      -2.469561     -6.408789      0.117845
  C      -1.859005     -2.648170      2.026781
  C      -0.737676     -2.634741      1.148459
  C       0.348378     -1.822252      1.391129
  C       0.351710     -0.965120      2.510865
  C      -0.744513     -0.913729      3.346588
  C      -1.891931     -1.723753      3.139458
  C      -3.097849     -1.611725      3.917234
  O      -4.117342     -2.396993      3.734932
  C      -3.361257     -0.597743      4.946953
  F      -4.701304     -0.535083      5.205331
  S      -2.377813      0.352434      5.847034
  C      -7.190504     -5.622591      3.039102
  C      -7.947011     -6.706369      3.579984
  C      -9.264897     -6.566599      3.960576
  C      -9.928337     -5.332873      3.820467
  C      -9.245975     -4.265570      3.282875
  C      -7.889557     -4.360141      2.865925
  C      -7.229986     -3.208625      2.330207
  O      -5.950437     -3.105201      2.231064
  C      -7.925929     -2.003372      1.841160
  F      -9.192181     -2.249572      1.387404
  S      -7.312754     -0.499961      1.748434
  C      -2.730458     -4.012137      5.522257
  C      -1.439020     -3.691455      6.008596
  C      -1.257988     -2.922666      7.150406
  C      -2.360450     -2.437060      7.864444
  C      -3.637317     -2.757931      7.431353
  C      -3.854574     -3.554513      6.291154
  C      -5.183379     -3.964269      5.887195
  O      -5.450289     -4.357328      4.694690
  C      -6.305697     -4.100905      6.826555
  F      -7.481661     -4.237884      6.152668
  S      -6.319706     -4.218043      8.456077
  H      -0.728736     -3.306317      0.290889
  H       1.207242     -1.852743      0.718373
  H       1.215810     -0.331532      2.713816
  H      -0.745160     -0.238669      4.198733
  H      -7.456664     -7.659612      3.762315
  H      -9.783965     -7.419262      4.402778
  H     -10.958604     -5.214471      4.155719
  H      -9.749608     -3.305220      3.210507
  H      -0.561902     -3.991451      5.437898
  H      -0.244225     -2.669809      7.465329
  H      -2.221725     -1.798844      8.736777
  H      -4.500488     -2.370850      7.966617
  N      -4.465943     -4.598970      0.702907
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.007932101242
  N      -2.863105     -3.518315      1.803069
  C      -3.033518     -4.375702      0.634827
  C      -2.399479     -5.725698      0.974290
  N      -3.196631     -6.232413      2.130106
  C      -4.207502     -7.232228      1.703158
  C      -5.403783     -7.167751      2.617222
  N      -5.888767     -5.792243      2.701353
  Mo     -4.389198     -4.276074      2.903487
  N      -2.897136     -4.737842      4.361892
  C      -1.758652     -5.539526      3.935786
  C      -2.332431     -6.735863      3.211538
  H      -1.176026     -5.884477      4.802456
  H      -1.071807     -4.977716      3.277528
  H      -2.954333     -7.315432      3.906846
  H      -1.547635     -7.394741      2.803300
  H      -6.180472     -7.830291      2.204669
  H      -5.154039     -7.550927      3.626862
  H      -4.517106     -6.965308      0.688840
  H      -3.759240     -8.240477      1.705688
  H      -2.657437     -3.947653     -0.312982
  H      -4.916218     -3.739437      0.403615
  H      -1.345743     -5.619739      1.260400
  H      -2.467932     -6.425289      0.129758
  C      -1.858545     -2.646446      2.019886
  C      -0.739349     -2.631211      1.138438
  C       0.336856     -1.801867      1.366748
  C       0.333377     -0.929192      2.474688
  C      -0.758790     -0.883772      3.315682
  C      -1.895653     -1.712281      3.124346
  C      -3.093984     -1.610554      3.914452
  O      -4.109558     -2.402027      3.743950
  C      -3.351314     -0.602078      4.952753
  F      -4.686942     -0.553902      5.232768
  S      -2.359376      0.344720      5.845908
  C      -7.193616     -5.616768      3.032953
  C      -7.956969     -6.698546      3.569007
  C      -9.276012     -6.554937      3.943232
  C      -9.934485     -5.318521      3.801666
  C      -9.245508     -4.252599      3.270254
  C      -7.887135     -4.350769      2.859694
  C      -7.220327     -3.200138      2.332057
  O      -5.939692     -3.103265      2.236816
  C      -7.907049     -1.987689      1.848550
  F      -9.172660     -2.222247      1.387262
  S      -7.284426     -0.487090      1.769251
  C      -2.729497     -4.015824      5.528933
  C      -1.438961     -3.684277      6.009670
  C      -1.260211     -2.918166      7.153325
  C      -2.364540     -2.447207      7.874331
  C      -3.640721     -2.777483      7.445257
  C      -3.855330     -3.568164      6.301045
  C      -5.181929     -3.983648      5.894075
  O      -5.444145     -4.365311      4.696808
  C      -6.304370     -4.132634      6.830131
  F      -7.477500     -4.282930      6.153551
  S      -6.321492     -4.254464      8.459524
  H      -0.724089     -3.314507      0.290340
  H       1.194292     -1.831366      0.692105
  H       1.188770     -0.279876      2.664097
  H      -0.762934     -0.200232      4.161060
  H      -7.470914     -7.653546      3.753283
  H      -9.799982     -7.406341      4.382011
  H     -10.966158     -5.196927      4.131390
  H      -9.745630     -3.290464      3.197853
  H      -0.562255     -3.974936      5.433351
  H      -0.247846     -2.656165      7.465099
  H      -2.227569     -1.814274      8.750540
  H      -4.505022     -2.402033      7.987157
  N      -4.460055     -4.606144      0.709431
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.008066532376
  N      -2.850176     -3.532094      1.807110
  C      -3.022652     -4.395059      0.643075
  C      -2.394015     -5.744988      0.989968
  N      -3.193142     -6.243279      2.148361
  C      -4.206384     -7.242870      1.725947
  C      -5.407806     -7.166865      2.632661
  N      -5.892537     -5.790275      2.699913
  Mo     -4.381242     -4.280674      2.910470
  N      -2.891314     -4.740287      4.373145
  C      -1.752678     -5.540534      3.947381
  C      -2.329513     -6.741658      3.232574
  H      -1.164045     -5.878403      4.812770
  H      -1.071427     -4.981790      3.280581
  H      -2.953357     -7.313108      3.932937
  H      -1.547057     -7.406295      2.829134
  H      -6.182139     -7.833241      2.221884
  H      -5.164329     -7.540100      3.647603
  H      -4.510276     -6.984235      0.707794
  H      -3.761926     -8.252722      1.739327
  H      -2.646633     -3.973422     -0.307316
  H      -4.907080     -3.754771      0.410438
  H      -1.339896     -5.639954      1.275074
  H      -2.463996     -6.449595      0.149747
  C      -1.857713     -2.642498      2.005105
  C      -0.745301     -2.621630      1.114754
  C       0.314701     -1.765308      1.317231
  C       0.301331     -0.869004      2.406361
  C      -0.781207     -0.835878      3.259894
  C      -1.898476     -1.696555      3.098998
  C      -3.082875     -1.611469      3.910026
  O      -4.096936     -2.405869      3.748183
  C      -3.322701     -0.620006      4.970515
  F      -4.658230     -0.541091      5.242451
  S      -2.309089      0.282235      5.883964
  C      -7.196834     -5.608088      3.024520
  C      -7.970715     -6.686525      3.553785
  C      -9.290701     -6.535927      3.920161
  C      -9.941223     -5.294975      3.777669
  C      -9.242631     -4.231935      3.253887
  C      -7.881948     -4.336643      2.851077
  C      -7.206020     -3.188580      2.331183
  O      -5.924512     -3.099217      2.239054
  C      -7.883035     -1.967680      1.853380
  F      -9.146169     -2.191048      1.380499
  S      -7.252215     -0.469849      1.793206
  C      -2.729709     -4.020287      5.541144
  C      -1.441323     -3.680556      6.021739
  C      -1.267820     -2.924143      7.172546
  C      -2.376078     -2.475091      7.901871
  C      -3.650210     -2.814142      7.472379
  C      -3.859247     -3.589148      6.317177
  C      -5.182211     -4.009311      5.901476
  O      -5.436177     -4.375930      4.697063
  C      -6.306373     -4.174877      6.830521
  F      -7.474929     -4.337339      6.147855
  S      -6.331883     -4.292843      8.460391
  H      -0.722472     -3.320982      0.280057
  H       1.166969     -1.790428      0.635825
  H       1.140565     -0.192323      2.570472
  H      -0.791737     -0.137587      4.093550
  H      -7.491797     -7.644676      3.739909
  H      -9.822220     -7.385166      4.354083
  H     -10.974211     -5.167970      4.101215
  H      -9.737044     -3.266891      3.181166
  H      -0.564042     -3.958126      5.439645
  H      -0.258035     -2.653077      7.484737
  H      -2.243455     -1.851983      8.785659
  H      -4.517020     -2.455849      8.022152
  N      -4.450855     -4.620759      0.719316
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.008161791631
  N      -2.836738     -3.547309      1.814557
  C      -3.012577     -4.414871      0.654383
  C      -2.389253     -5.764968      1.006791
  N      -3.189145     -6.254466      2.169388
  C      -4.205568     -7.253932      1.752571
  C      -5.411683     -7.165406      2.652258
  N      -5.896795     -5.788098      2.700481
  Mo     -4.372247     -4.286246      2.921701
  N      -2.884573     -4.746590      4.387204
  C      -1.745563     -5.545076      3.962134
  C      -2.324781     -6.749735      3.254354
  H      -1.151980     -5.876867      4.826422
  H      -1.068668     -4.989073      3.288248
  H      -2.949378     -7.315560      3.958706
  H      -1.544332     -7.418147      2.853327
  H      -6.183340     -7.836391      2.243958
  H      -5.174553     -7.527187      3.672837
  H      -4.504498     -7.004282      0.730720
  H      -3.765014     -8.265222      1.777174
  H      -2.635990     -3.998446     -0.297780
  H      -4.897797     -3.770325      0.420556
  H      -1.334234     -5.661685      1.289207
  H      -2.463825     -6.475225      0.171863
  C      -1.857355     -2.639352      1.991714
  C      -0.754865     -2.609467      1.088936
  C       0.285850     -1.723733      1.262258
  C       0.262288     -0.803927      2.331738
  C      -0.807752     -0.785232      3.200893
  C      -1.901047     -1.681795      3.075236
  C      -3.069129     -1.614667      3.909546
  O      -4.081276     -2.412351      3.759371
  C      -3.289573     -0.637602      4.988632
  F      -4.622340     -0.538158      5.264950
  S      -2.251119      0.212675      5.922321
  C      -7.200889     -5.598741      3.014805
  C      -7.987882     -6.673248      3.534546
  C      -9.309537     -6.514244      3.889225
  C      -9.950477     -5.268011      3.744793
  C      -9.239688     -4.208424      3.231363
  C      -7.875820     -4.321253      2.840205
  C      -7.188350     -3.176174      2.331065
  O      -5.905803     -3.094147      2.246850
  C      -7.854788     -1.946280      1.859061
  F      -9.111085     -2.160806      1.364501
  S      -7.219034     -0.450306      1.827962
  C      -2.728718     -4.027986      5.556718
  C      -1.442620     -3.680368      6.037126
  C      -1.274184     -2.928976      7.192173
  C      -2.386293     -2.494781      7.924859
  C      -3.658529     -2.841862      7.494627
  C      -3.862121     -3.609953      6.334305
  C      -5.181848     -4.037751      5.911607
  O      -5.428020     -4.388736      4.700386
  C      -6.306734     -4.225407      6.833563
  F      -7.469843     -4.401434      6.144295
  S      -6.338610     -4.352025      8.463052
  H      -0.724500     -3.323637      0.267181
  H       1.130245     -1.741420      0.570864
  H       1.082645     -0.098431      2.467061
  H      -0.825578     -0.070930      4.020624
  H      -7.517595     -7.635050      3.723428
  H      -9.850837     -7.360873      4.316137
  H     -10.985470     -5.134777      4.059280
  H      -9.726950     -3.239773      3.157135
  H      -0.564861     -3.949530      5.451712
  H      -0.266962     -2.650409      7.505786
  H      -2.258077     -1.877081      8.813237
  H      -4.527298     -2.495839      8.048853
  N      -4.442477     -4.635864      0.733392
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.008201819063
  N      -2.829664     -3.555479      1.820981
  C      -3.008357     -4.424859      0.662488
  C      -2.386766     -5.774920      1.016478
  N      -3.186288     -6.260073      2.182177
  C      -4.205179     -7.259743      1.769733
  C      -5.412331     -7.164123      2.667596
  N      -5.898993     -5.787130      2.703971
  Mo     -4.366929     -4.289345      2.930963
  N      -2.879981     -4.753533      4.396099
  C      -1.740633     -5.551269      3.972211
  C      -2.320048     -6.756227      3.265042
  H      -1.146653     -5.881580      4.836724
  H      -1.063639     -4.996281      3.297187
  H      -2.943337     -7.322707      3.970070
  H      -1.540088     -7.423904      2.861980
  H      -6.182276     -7.838859      2.262127
  H      -5.177346     -7.518108      3.691342
  H      -4.503292     -7.015052      0.746450
  H      -3.766533     -8.271622      1.799835
  H      -2.631386     -4.011034     -0.290443
  H      -4.895281     -3.779363      0.429681
  H      -1.331084     -5.673627      1.296851
  H      -2.466234     -6.488118      0.184579
  C      -1.858083     -2.636794      1.985234
  C      -0.762930     -2.600278      1.073579
  C       0.264939     -1.696390      1.228326
  C       0.235174     -0.762600      2.285545
  C      -0.826468     -0.752335      3.164819
  C      -1.903492     -1.671729      3.062184
  C      -3.062279     -1.614531      3.909455
  O      -4.071383     -2.416857      3.770628
  C      -3.274255     -0.637940      4.990627
  F      -4.605258     -0.530077      5.270763
  S      -2.222750      0.193076      5.925939
  C      -7.203381     -5.593819      3.009703
  C      -7.999132     -6.665635      3.522810
  C      -9.322645     -6.501274      3.866821
  C      -9.957858     -5.252231      3.718434
  C      -9.238719     -4.195100      3.211998
  C      -7.871998     -4.313161      2.831805
  C      -7.176605     -3.169822      2.330571
  O      -5.893329     -3.090167      2.256212
  C      -7.837382     -1.935695      1.859502
  F      -9.084498     -2.149737      1.341562
  S      -7.204385     -0.439026      1.853760
  C      -2.725760     -4.036850      5.568080
  C      -1.440696     -3.691821      6.052086
  C      -1.274275     -2.945003      7.210949
  C      -2.388169     -2.512871      7.942128
  C      -3.659917     -2.857750      7.507528
  C      -3.860716     -3.622207      6.344594
  C      -5.179706     -4.052143      5.919082
  O      -5.424635     -4.395037      4.704933
  C      -6.303200     -4.248819      6.839608
  F      -7.465487     -4.429795      6.150266
  S      -6.331827     -4.379112      8.469021
  H      -0.728135     -3.322502      0.259095
  H       1.103105     -1.708194      0.529250
  H       1.043451     -0.040112      2.402353
  H      -0.850224     -0.025669      3.972989
  H      -7.534241     -7.629360      3.715220
  H      -9.870899     -7.346000      4.288657
  H     -10.994817     -5.115400      4.024770
  H      -9.721412     -3.224302      3.134395
  H      -0.562294     -3.961666      5.468028
  H      -0.267759     -2.670000      7.529801
  H      -2.262135     -1.899662      8.834179
  H      -4.529769     -2.515548      8.062507
  N      -4.438886     -4.644339      0.744510
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.008215492668
  N      -2.826594     -3.559397      1.824508
  C      -3.006547     -4.429619      0.666433
  C      -2.385414     -5.779753      1.021582
  N      -3.185530     -6.263528      2.187804
  C      -4.205516     -7.262974      1.776781
  C      -5.412853     -7.164293      2.674146
  N      -5.899726     -5.787453      2.705580
  Mo     -4.364184     -4.291728      2.935940
  N      -2.878843     -4.758337      4.400485
  C      -1.738979     -5.555494      3.976910
  C      -2.318210     -6.760499      3.269624
  H      -1.145502     -5.885895      4.841644
  H      -1.061791     -5.000048      3.302353
  H      -2.940198     -7.328255      3.974741
  H      -1.538356     -7.427160      2.864768
  H      -6.182182     -7.840594      2.269982
  H      -5.178629     -7.515021      3.699153
  H      -4.503304     -7.019835      0.753027
  H      -3.768066     -8.275273      1.808786
  H      -2.628874     -4.017870     -0.287090
  H      -4.892488     -3.782473      0.434355
  H      -1.329920     -5.679750      1.302769
  H      -2.465835     -6.493212      0.189924
  C      -1.859054     -2.635348      1.982884
  C      -0.767987     -2.594639      1.066259
  C       0.253034     -1.681617      1.211530
  C       0.219557     -0.740821      2.262488
  C      -0.836644     -0.736205      3.148091
  C      -1.904279     -1.668290      3.058198
  C      -3.056564     -1.619332      3.914850
  O      -4.065679     -2.421771      3.778734
  C      -3.258337     -0.652948      5.006590
  F      -4.588281     -0.531258      5.286264
  S      -2.195064      0.148151      5.953869
  C      -7.204274     -5.592041      3.007363
  C      -8.004032     -6.662386      3.517744
  C      -9.328409     -6.495208      3.856651
  C      -9.960924     -5.244946      3.705898
  C      -9.237895     -4.189202      3.202339
  C      -7.869932     -4.310053      2.827388
  C      -7.170641     -3.167758      2.329910
  O      -5.887029     -3.088580      2.260883
  C      -7.828978     -1.932375      1.857920
  F      -9.071029     -2.146964      1.327982
  S      -7.198165     -0.435066      1.863705
  C      -2.724957     -4.041675      5.572839
  C      -1.440690     -3.694459      6.056922
  C      -1.275860     -2.945619      7.214827
  C      -2.390552     -2.513518      7.944648
  C      -3.661705     -2.859645      7.509269
  C      -3.860845     -3.625985      6.347512
  C      -5.179430     -4.057165      5.921614
  O      -5.424075     -4.399125      4.706853
  C      -6.302990     -4.255364      6.841219
  F      -7.464724     -4.438267      6.151484
  S      -6.332188     -4.386114      8.470785
  H      -0.731131     -3.320233      0.254925
  H       1.087675     -1.689918      0.508196
  H       1.020541     -0.008715      2.369076
  H      -0.863572     -0.003303      3.950460
  H      -7.541835     -7.627039      3.712016
  H      -9.880024     -7.338828      4.276331
  H     -10.998752     -5.106463      4.008481
  H      -9.718116     -3.217257      3.123083
  H      -0.561532     -3.963728      5.473827
  H      -0.269779     -2.670089      7.534567
  H      -2.266010     -1.899127      8.836071
  H      -4.532277     -2.516515      8.062493
  N      -4.436461     -4.647973      0.749187
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.008230550337
  N      -2.828487     -3.556945      1.825902
  C      -3.008480     -4.425301      0.666292
  C      -2.385977     -5.775780      1.018983
  N      -3.186140     -6.262666      2.183905
  C      -4.206515     -7.261167      1.771709
  C      -5.411560     -7.164922      2.672531
  N      -5.898978     -5.788570      2.707636
  Mo     -4.365397     -4.291533      2.936696
  N      -2.880749     -4.762928      4.399497
  C      -1.740753     -5.560548      3.975983
  C      -2.318440     -6.763042      3.263967
  H      -1.150476     -5.894383      4.841615
  H      -1.060734     -5.003369      3.305722
  H      -2.939166     -7.335179      3.966596
  H      -1.537698     -7.426712      2.855940
  H      -6.181604     -7.840850      2.268993
  H      -5.174538     -7.517492      3.696257
  H      -4.506628     -7.014831      0.749375
  H      -3.768896     -8.273500      1.799831
  H      -2.630413     -4.012230     -0.286603
  H      -4.894595     -3.779795      0.434678
  H      -1.330819     -5.676699      1.301519
  H      -2.466311     -6.486641      0.185002
  C      -1.859448     -2.634797      1.987240
  C      -0.766729     -2.595017      1.072536
  C       0.256379     -1.684937      1.221466
  C       0.223266     -0.746065      2.274084
  C      -0.835089     -0.739389      3.157135
  C      -1.905247     -1.668368      3.063211
  C      -3.060115     -1.617811      3.916757
  O      -4.067012     -2.423467      3.783679
  C      -3.267361     -0.644956      5.001221
  F      -4.597793     -0.531180      5.282304
  S      -2.208493      0.173130      5.938739
  C      -7.203904     -5.594151      3.009708
  C      -8.002047     -6.664792      3.521633
  C      -9.326873     -6.498713      3.859900
  C      -9.961065     -5.249652      3.706942
  C      -9.239202     -4.193612      3.202078
  C      -7.870991     -4.313428      2.828197
  C      -7.172587     -3.170581      2.330557
  O      -5.889029     -3.088610      2.264792
  C      -7.832649     -1.937169      1.855824
  F      -9.072681     -2.156028      1.322530
  S      -7.206068     -0.438186      1.862403
  C      -2.723779     -4.045913      5.571667
  C      -1.438593     -3.703468      6.056175
  C      -1.271351     -2.951887      7.212049
  C      -2.384296     -2.510536      7.938532
  C      -3.656611     -2.852016      7.502799
  C      -3.858049     -3.623476      6.344729
  C      -5.178599     -4.050634      5.921135
  O      -5.427186     -4.397369      4.708485
  C      -6.301998     -4.242336      6.842915
  F      -7.466009     -4.417196      6.155317
  S      -6.328513     -4.374993      8.472391
  H      -0.730057     -3.319265      0.259968
  H       1.092376     -1.694083      0.519732
  H       1.026757     -0.017208      2.384243
  H      -0.861872     -0.006690      3.959661
  H      -7.538518     -7.628624      3.717051
  H      -9.877681     -7.342449      4.280457
  H     -10.999227     -5.112380      4.008964
  H      -9.720323     -3.222211      3.121128
  H      -0.559505     -3.977849      5.475411
  H      -0.263990     -2.681372      7.532193
  H      -2.258041     -1.892580      8.827173
  H      -4.526212     -2.500759      8.052332
  N      -4.438066     -4.645086      0.748960
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.008238755402
  N      -2.828198     -3.556255      1.825854
  C      -3.008360     -4.425317      0.666747
  C      -2.385490     -5.775598      1.019621
  N      -3.185603     -6.262814      2.184256
  C      -4.206276     -7.260716      1.772005
  C      -5.410361     -7.164616      2.674202
  N      -5.897352     -5.788221      2.709562
  Mo     -4.364348     -4.290735      2.937734
  N      -2.881354     -4.763722      4.400567
  C      -1.740955     -5.561148      3.977107
  C      -2.317911     -6.763427      3.264265
  H      -1.151667     -5.895776      4.843165
  H      -1.060504     -5.002926      3.308256
  H      -2.938166     -7.336586      3.966440
  H      -1.536816     -7.426362      2.855724
  H      -6.181037     -7.840518      2.271835
  H      -5.171926     -7.517244      3.697623
  H      -4.507072     -7.013481      0.750084
  H      -3.769013     -8.273256      1.799171
  H      -2.630332     -4.012341     -0.286282
  H      -4.893069     -3.779688      0.433906
  H      -1.330575     -5.675877      1.302898
  H      -2.464725     -6.486015      0.185128
  C      -1.859798     -2.633303      1.985521
  C      -0.767600     -2.594525      1.070038
  C       0.254317     -1.682742      1.215838
  C       0.219988     -0.740838      2.265689
  C      -0.837483     -0.733769      3.149787
  C      -1.905999     -1.665113      3.059867
  C      -3.059469     -1.616241      3.915850
  O      -4.065980     -2.423150      3.784588
  C      -3.266863     -0.644108      5.001142
  F      -4.597462     -0.530496      5.281750
  S      -2.208646      0.170429      5.942458
  C      -7.202511     -5.593595      3.010888
  C      -8.000225     -6.663586      3.524712
  C      -9.325353     -6.497459      3.861959
  C      -9.960141     -5.249082      3.705947
  C      -9.238499     -4.193642      3.199511
  C      -7.869962     -4.313535      2.826888
  C      -7.171639     -3.170926      2.328703
  O      -5.888196     -3.087391      2.265095
  C      -7.832498     -1.938923      1.851144
  F      -9.071014     -2.160316      1.315341
  S      -7.208481     -0.438860      1.857671
  C      -2.723828     -4.047527      5.573239
  C      -1.438639     -3.707576      6.059377
  C      -1.271205     -2.960540      7.218234
  C      -2.383799     -2.520972      7.946218
  C      -3.656249     -2.858929      7.508086
  C      -3.857911     -3.625370      6.346814
  C      -5.179184     -4.047597      5.921326
  O      -5.428299     -4.394864      4.708927
  C      -6.304480     -4.235111      6.841924
  F      -7.468930     -4.402435      6.153184
  S      -6.333522     -4.370562      8.471180
  H      -0.730528     -3.320795      0.259297
  H       1.090130     -1.692815      0.513884
  H       1.022031     -0.009956      2.373038
  H      -0.864159      0.000842      3.950463
  H      -7.536184     -7.626740      3.722334
  H      -9.875963     -7.340540      4.284102
  H     -10.998605     -5.111903      4.006987
  H      -9.719909     -3.222532      3.116476
  H      -0.559018     -3.980697      5.478784
  H      -0.263569     -2.692476      7.539607
  H      -2.257393     -1.907131      8.837675
  H      -4.525832     -2.508281      8.058076
  N      -4.437767     -4.644922      0.748942
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.008244663634
  N      -2.826932     -3.557248      1.827458
  C      -3.007590     -4.426253      0.668187
  C      -2.385685     -5.777086      1.020386
  N      -3.185556     -6.264590      2.184765
  C      -4.206876     -7.261540      1.772473
  C      -5.410372     -7.165046      2.675473
  N      -5.896782     -5.788489      2.710506
  Mo     -4.363415     -4.291359      2.939433
  N      -2.881886     -4.766972      4.402088
  C      -1.741077     -5.563429      3.977910
  C      -2.317787     -6.765529      3.264497
  H      -1.151612     -5.898365      4.843760
  H      -1.061175     -5.004069      3.309462
  H      -2.937789     -7.339203      3.966451
  H      -1.536598     -7.428121      2.855586
  H      -6.181569     -7.840874      2.274051
  H      -5.171076     -7.517528      3.698765
  H      -4.508032     -7.013563      0.750840
  H      -3.770360     -8.274443      1.798901
  H      -2.629404     -4.013048     -0.284643
  H      -4.891768     -3.779401      0.435552
  H      -1.330674     -5.677889      1.303525
  H      -2.465190     -6.486684      0.185220
  C      -1.860011     -2.632494      1.985411
  C      -0.767885     -2.593482      1.069787
  C       0.251826     -1.678852      1.213162
  C       0.215346     -0.734524      2.260847
  C      -0.841456     -0.728634      3.145709
  C      -1.907481     -1.662920      3.058363
  C      -3.058849     -1.616390      3.916864
  O      -4.064094     -2.425350      3.788529
  C      -3.264309     -0.645891      5.004293
  F      -4.594372     -0.531916      5.287051
  S      -2.203834      0.166179      5.945039
  C      -7.202051     -5.593243      3.011031
  C      -8.000198     -6.662611      3.525432
  C      -9.325682     -6.496145      3.861103
  C      -9.960353     -5.248002      3.702821
  C      -9.238131     -4.193042      3.196218
  C      -7.869091     -4.313224      2.825508
  C      -7.169965     -3.170628      2.328343
  O      -5.886399     -3.086797      2.267322
  C      -7.830057     -1.938838      1.849367
  F      -9.067589     -2.160403      1.311393
  S      -7.206285     -0.438587      1.856493
  C      -2.723755     -4.050158      5.574198
  C      -1.438540     -3.708676      6.058942
  C      -1.270804     -2.961335      7.217626
  C      -2.383052     -2.523547      7.947095
  C      -3.655632     -2.862745      7.510065
  C      -3.857599     -3.628280      6.348317
  C      -5.179257     -4.048533      5.922398
  O      -5.428847     -4.395734      4.710086
  C      -6.305833     -4.232155      6.842410
  F      -7.470546     -4.395073      6.153014
  S      -6.336558     -4.368685      8.471544
  H      -0.729087     -3.321824      0.261011
  H       1.087813     -1.688902      0.511441
  H       1.015237     -0.000987      2.365980
  H      -0.868785      0.006926      3.945562
  H      -7.536287     -7.625470      3.724726
  H      -9.876680     -7.338660      4.283843
  H     -10.999190     -5.110623      4.002446
  H      -9.719424     -3.222011      3.111647
  H      -0.558927     -3.980584      5.477752
  H      -0.263105     -2.691865      7.537598
  H      -2.256435     -1.909947      8.838664
  H      -4.525075     -2.513025      8.060915
  N      -4.436943     -4.644824      0.750424
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.008250179949
  N      -2.823303     -3.560141      1.831090
  C      -3.004813     -4.429064      0.671676
  C      -2.385157     -5.780953      1.022775
  N      -3.184943     -6.268504      2.186711
  C      -4.207691     -7.263602      1.774458
  C      -5.410711     -7.165642      2.678078
  N      -5.895846     -5.788666      2.711947
  Mo     -4.361186     -4.292739      2.942960
  N      -2.882489     -4.773039      4.405648
  C      -1.741159     -5.568191      3.980523
  C      -2.317665     -6.769944      3.266317
  H      -1.151227     -5.903313      4.845994
  H      -1.062181     -5.007462      3.312243
  H      -2.937902     -7.343766      3.967924
  H      -1.536406     -7.432532      2.857515
  H      -6.182775     -7.841173      2.277952
  H      -5.170749     -7.517619      3.701407
  H      -4.508929     -7.014770      0.753053
  H      -3.772845     -8.277270      1.800230
  H      -2.626351     -4.015582     -0.280843
  H      -4.888335     -3.779411      0.439519
  H      -1.329785     -5.683238      1.305206
  H      -2.465924     -6.489368      0.186740
  C      -1.859684     -2.631261      1.985114
  C      -0.768615     -2.590694      1.068236
  C       0.245422     -1.668764      1.205200
  C       0.203987     -0.718554      2.247492
  C      -0.850691     -0.715949      3.134814
  C      -1.909909     -1.658504      3.054895
  C      -3.056957     -1.616872      3.918552
  O      -4.059942     -2.429403      3.795388
  C      -3.259019     -0.649049      5.009362
  F      -4.588339     -0.532804      5.294218
  S      -2.194339      0.156096      5.950976
  C      -7.201236     -5.591825      3.010954
  C      -8.000838     -6.659796      3.525992
  C      -9.326858     -6.492148      3.858856
  C      -9.960617     -5.244013      3.696951
  C      -9.236777     -4.190183      3.190330
  C      -7.866929     -4.311494      2.822865
  C      -7.165879     -3.169233      2.327374
  O      -5.882057     -3.085552      2.270884
  C      -7.823951     -1.937673      1.845319
  F      -9.060217     -2.158915      1.304405
  S      -7.199387     -0.437618      1.852084
  C      -2.723733     -4.055688      5.577310
  C      -1.438417     -3.712699      6.060216
  C      -1.269958     -2.965425      7.218992
  C      -2.381698     -2.530005      7.950489
  C      -3.654571     -2.870084      7.514669
  C      -3.857341     -3.634331      6.352207
  C      -5.179658     -4.051435      5.925053
  O      -5.429154     -4.398115      4.712585
  C      -6.308698     -4.230496      6.843265
  F      -7.473317     -4.384727      6.151596
  S      -6.343478     -4.371440      8.471906
  H      -0.726261     -3.323345      0.263571
  H       1.080769     -1.677578      0.502740
  H       0.998131      0.022033      2.346376
  H      -0.880844      0.023196      3.931307
  H      -7.537705     -7.622452      3.728016
  H      -9.879025     -7.333525      4.282303
  H     -11.000026     -5.105714      3.994133
  H      -9.717386     -3.219054      3.103356
  H      -0.559021     -3.983416      5.478133
  H      -0.262121     -2.694483      7.537219
  H      -2.254633     -1.917154      8.842514
  H      -4.523556     -2.521706      8.067008
  N      -4.434532     -4.645397      0.754080
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.008252659884
  N      -2.821658     -3.561473      1.832748
  C      -3.003557     -4.430343      0.673313
  C      -2.384822     -5.782664      1.023706
  N      -3.184532     -6.270282      2.187457
  C      -4.208034     -7.264509      1.775327
  C      -5.410777     -7.165844      2.679292
  N      -5.895157     -5.788601      2.712929
  Mo     -4.360212     -4.293159      2.944532
  N      -2.882947     -4.775747      4.407257
  C      -1.741467     -5.570498      3.981843
  C      -2.317765     -6.772006      3.267090
  H      -1.151260     -5.905669      4.847082
  H      -1.062840     -5.009363      3.313495
  H      -2.938380     -7.345750      3.968433
  H      -1.536360     -7.434677      2.858681
  H      -6.183428     -7.841002      2.279724
  H      -5.170542     -7.517756      3.702583
  H      -4.509404     -7.015292      0.754048
  H      -3.773945     -8.278525      1.800744
  H      -2.625105     -4.016632     -0.279086
  H      -4.886824     -3.779104      0.441543
  H      -1.329213     -5.685518      1.305543
  H      -2.466204     -6.490754      0.187456
  C      -1.859572     -2.630595      1.984853
  C      -0.769319     -2.588699      1.067088
  C       0.241968     -1.663299      1.201223
  C       0.198541     -0.710843      2.241426
  C      -0.854948     -0.710131      3.130118
  C      -1.910951     -1.656631      3.053445
  C      -3.056128     -1.617245      3.919228
  O      -4.058220     -2.431136      3.798008
  C      -3.256511     -0.650724      5.011500
  F      -4.585436     -0.533507      5.297542
  S      -2.189586      0.150895      5.953441
  C      -7.200679     -5.591073      3.011173
  C      -8.000774     -6.658248      3.527007
  C      -9.327104     -6.490148      3.858438
  C      -9.960611     -5.242210      3.694151
  C      -9.236133     -4.189031      3.187029
  C      -7.865886     -4.310808      2.821248
  C      -7.164052     -3.168788      2.326030
  O      -5.880084     -3.085032      2.272076
  C      -7.821275     -1.937818      1.841669
  F      -9.057095     -2.159379      1.299882
  S      -7.196154     -0.437905      1.846480
  C      -2.723838     -4.058201      5.579009
  C      -1.438398     -3.715255      6.061344
  C      -1.269358     -2.968539      7.220509
  C      -2.380820     -2.533882      7.952804
  C      -3.653882     -2.873526      7.517171
  C      -3.857223     -3.636792      6.354137
  C      -5.179975     -4.052125      5.926530
  O      -5.429498     -4.398516      4.714107
  C      -6.309866     -4.228569      6.844332
  F      -7.474844     -4.377606      6.152096
  S      -6.345100     -4.372629      8.472582
  H      -0.725485     -3.322923      0.263937
  H       1.076628     -1.670914      0.497941
  H       0.990036      0.032927      2.337525
  H      -0.886749      0.030757      3.924905
  H      -7.537782     -7.620623      3.730782
  H      -9.879689     -7.330895      4.282578
  H     -11.000337     -5.103426      3.989997
  H      -9.716628     -3.217994      3.098434
  H      -0.559282     -3.985922      5.478852
  H      -0.261391     -2.697723      7.538397
  H      -2.253394     -1.921893      8.845387
  H      -4.522587     -2.525931      8.070485
  N      -4.433530     -4.645517      0.755793
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.008255294880
  N      -2.819338     -3.563131      1.834828
  C      -3.001477     -4.431803      0.675295
  C      -2.383842     -5.784649      1.024882
  N      -3.183867     -6.272439      2.188148
  C      -4.208361     -7.265477      1.775928
  C      -5.410975     -7.165821      2.680013
  N      -5.894236     -5.788164      2.713799
  Mo     -4.359154     -4.293454      2.946065
  N      -2.883678     -4.778709      4.409082
  C      -1.742210     -5.573400      3.983631
  C      -2.318237     -6.774579      3.268183
  H      -1.151715     -5.908614      4.848618
  H      -1.063794     -5.012158      3.315057
  H      -2.939737     -7.347942      3.969081
  H      -1.536576     -7.437586      2.860769
  H      -6.184422     -7.840176      2.280649
  H      -5.170853     -7.517985      3.703250
  H      -4.509625     -7.015789      0.754715
  H      -3.775309     -8.279961      1.801022
  H      -2.623012     -4.017981     -0.277044
  H      -4.884425     -3.778384      0.443626
  H      -1.328018     -5.688385      1.306287
  H      -2.465786     -6.492358      0.188343
  C      -1.859125     -2.629878      1.984716
  C      -0.769974     -2.586210      1.065784
  C       0.237912     -1.656619      1.196545
  C       0.191975     -0.701316      2.234049
  C      -0.860114     -0.702805      3.124349
  C      -1.911981     -1.654429      3.051872
  C      -3.055276     -1.617769      3.919963
  O      -4.056510     -2.432960      3.800281
  C      -3.254221     -0.652732      5.013679
  F      -4.582799     -0.534786      5.300847
  S      -2.185066      0.144946      5.956279
  C      -7.199884     -5.589840      3.011544
  C      -8.000254     -6.656095      3.528650
  C      -9.326806     -6.487512      3.859092
  C      -9.960051     -5.239797      3.692397
  C      -9.235097     -4.187389      3.184198
  C      -7.864634     -4.309722      2.819567
  C      -7.162041     -3.168164      2.323863
  O      -5.877861     -3.084574      2.272609
  C      -7.818109     -1.938202      1.836033
  F      -9.054338     -2.159903      1.295239
  S      -7.191376     -0.438800      1.835868
  C      -2.724282     -4.061353      5.581290
  C      -1.438601     -3.719254      6.063326
  C      -1.268728     -2.973350      7.222957
  C      -2.379891     -2.538784      7.955724
  C      -3.653206     -2.877235      7.520041
  C      -3.857387     -3.639576      6.356498
  C      -5.180717     -4.052765      5.928318
  O      -5.430092     -4.398547      4.715918
  C      -6.311421     -4.227035      6.845696
  F      -7.476915     -4.368963      6.152841
  S      -6.346576     -4.376231      8.473320
  H      -0.724414     -3.322152      0.264290
  H       1.071567     -1.662563      0.492043
  H       0.980265      0.046278      2.326717
  H      -0.894452      0.040627      3.916603
  H      -7.537279     -7.618143      3.734173
  H      -9.879655     -7.327573      4.284252
  H     -10.999971     -5.100335      3.987272
  H      -9.715549     -3.216487      3.094020
  H      -0.559984     -3.990257      5.480277
  H      -0.260565     -2.703311      7.540859
  H      -2.251925     -1.927617      8.848808
  H      -4.521502     -2.529651      8.074020
  N      -4.431878     -4.645463      0.757519
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.008256535807
  N      -2.818462     -3.563628      1.835447
  C      -3.000495     -4.432158      0.675827
  C      -2.383194     -5.785183      1.025171
  N      -3.183576     -6.273089      2.188132
  C      -4.208458     -7.265626      1.775738
  C      -5.411107     -7.165530      2.679723
  N      -5.893877     -5.787669      2.713921
  Mo     -4.359017     -4.293286      2.946195
  N      -2.884118     -4.779344      4.409460
  C      -1.742797     -5.574341      3.984277
  C      -2.318640     -6.775415      3.268536
  H      -1.152287     -5.909589      4.849224
  H      -1.064255     -5.013309      3.315602
  H      -2.940649     -7.348582      3.969154
  H      -1.536781     -7.438583      2.861740
  H      -6.184894     -7.839362      2.280106
  H      -5.171283     -7.518041      3.702914
  H      -4.509532     -7.015793      0.754498
  H      -3.775842     -8.280302      1.800814
  H      -2.621967     -4.018410     -0.276528
  H      -4.883180     -3.777847      0.443690
  H      -1.327373     -5.689324      1.306739
  H      -2.465134     -6.492796      0.188530
  C      -1.858897     -2.629585      1.984686
  C      -0.770016     -2.585342      1.065466
  C       0.236864     -1.654580      1.195439
  C       0.190135     -0.698449      2.232135
  C      -0.861654     -0.700498      3.122777
  C      -1.912290     -1.653666      3.051415
  C      -3.055290     -1.617897      3.920008
  O      -4.056372     -2.433314      3.800236
  C      -3.253995     -0.653503      5.014194
  F      -4.582466     -0.535803      5.301969
  S      -2.184238      0.143256      5.956866
  C      -7.199583     -5.589187      3.011819
  C      -7.999738     -6.655176      3.529658
  C      -9.326275     -6.486511      3.860285
  C      -9.959548     -5.238927      3.692970
  C      -9.234717     -4.186768      3.183946
  C      -7.864358     -4.309242      2.819179
  C      -7.161707     -3.168008      2.322611
  O      -5.877426     -3.084657      2.272053
  C      -7.817397     -1.938692      1.833139
  F      -9.054550     -2.160428      1.294446
  S      -7.189359     -0.439738      1.828679
  C      -2.724659     -4.062248      5.581982
  C      -1.438836     -3.720836      6.064166
  C      -1.268665     -2.975358      7.223989
  C      -2.379760     -2.540443      7.956699
  C      -3.653157     -2.878154      7.520827
  C      -3.857613     -3.640189      6.357119
  C      -5.181159     -4.052743      5.928876
  O      -5.430614     -4.397905      4.716475
  C      -6.311719     -4.226961      6.846500
  F      -7.477644     -4.366380      6.153951
  S      -6.345545     -4.378811      8.473829
  H      -0.723891     -3.321658      0.264341
  H       1.070228     -1.659956      0.490569
  H       0.977624      0.050102      2.323929
  H      -0.897030      0.043823      3.914128
  H      -7.536607     -7.617081      3.735559
  H      -9.878993     -7.326390      4.285983
  H     -10.999414     -5.099204      3.987937
  H      -9.715295     -3.215964      3.093303
  H      -0.560483     -3.992094      5.480849
  H      -0.260437     -2.705958      7.542230
  H      -2.251563     -1.929521      8.849918
  H      -4.521330     -2.530146      8.074763
  N      -4.431082     -4.645241      0.757622
69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670648-X4Ck/orca E -7244.008257203855
  N      -2.817714     -3.563999      1.835805
  C      -2.999529     -4.432397      0.676071
  C      -2.382573     -5.785590      1.025428
  N      -3.183422     -6.273492      2.188098
  C      -4.208575     -7.265632      1.775483
  C      -5.411346     -7.165095      2.679233
  N      -5.893785     -5.787085      2.713669
  Mo     -4.359079     -4.293068      2.945979
  N      -2.884466     -4.779547      4.409547
  C      -1.743298     -5.574894      3.984723
  C      -2.319015     -6.775950      3.268848
  H      -1.152918     -5.910190      4.849735
  H      -1.064524     -5.014088      3.316063
  H      -2.941356     -7.349047      3.969230
  H      -1.537007     -7.439190      2.862444
  H      -6.185306     -7.838543      2.279260
  H      -5.171928     -7.517856      3.702432
  H      -4.509328     -7.015780      0.754151
  H      -3.776355     -8.280477      1.800730
  H      -2.620759     -4.018825     -0.276268
  H      -4.881861     -3.777497      0.443076
  H      -1.326849     -5.690171      1.307496
  H      -2.464404     -6.493087      0.188664
  C      -1.858638     -2.629420      1.984715
  C      -0.769720     -2.585051      1.065500
  C       0.236570     -1.653633      1.195062
  C       0.189157     -0.696806      2.231081
  C      -0.862613     -0.698997      3.121739
  C      -1.912499     -1.653061      3.051046
  C      -3.055467     -1.617873      3.919869
  O      -4.056458     -2.433420      3.799777
  C      -3.254278     -0.653928      5.014332
  F      -4.582719     -0.536656      5.302475
  S      -2.184408      0.142638      5.957048
  C      -7.199511     -5.588563      3.011871
  C      -7.999393     -6.654492      3.530151
  C      -9.325795     -6.485752      3.861415
  C      -9.959045     -5.238166      3.694312
  C      -9.234459     -4.186097      3.184643
  C      -7.864349     -4.308697      2.819146
  C      -7.161666     -3.167770      2.321755
  O      -5.877301     -3.084907      2.271322
  C      -7.816908     -1.938822      1.831174
  F      -9.055137     -2.160225      1.294769
  S      -7.187575     -0.440332      1.823211
  C      -2.725020     -4.062689      5.582212
  C      -1.439116     -3.721628      6.064598
  C      -1.268932     -2.976349      7.224472
  C      -2.380056     -2.541161      7.957066
  C      -3.653456     -2.878551      7.521050
  C      -3.857897     -3.640517      6.357297
  C      -5.181494     -4.053005      5.929083
  O      -5.431167     -4.397254      4.716579
  C      -6.311644     -4.228237      6.847077
  F      -7.477899     -4.366806      6.155063
  S      -6.343994     -4.382013      8.474238
  H      -0.723086     -3.321687      0.264697
  H       1.069949     -1.658881      0.490193
  H       0.976212      0.052273      2.322346
  H      -0.898671      0.045928      3.912483
  H      -7.536171     -7.616395      3.735858
  H      -9.878330     -7.325594      4.287428
  H     -10.998724     -5.098252      3.989865
  H      -9.715077     -3.215308      3.094119
  H      -0.560881     -3.992922      5.481110
  H      -0.260717     -2.707263      7.543037
  H      -2.251782     -1.930242      8.850270
  H      -4.521633     -2.530074      8.074695
  N      -4.430238     -4.645087      0.757284
