109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.338421546056
  N      -3.641268     -3.721590      1.936623
  C      -3.518814     -4.834144      1.035510
  C      -2.850487     -6.035971      1.724410
  N      -3.561339     -6.305067      2.966593
  C      -4.813360     -7.016479      2.713170
  C      -5.818192     -6.626234      3.796479
  N      -5.876784     -5.188396      3.869975
  Mo     -4.051437     -4.374478      3.878446
  N      -2.948403     -5.191099      5.396410
  C      -1.975585     -6.071637      4.813550
  C      -2.726490     -7.050962      3.905540
  H      -1.406288     -6.655539      5.544044
  H      -1.227668     -5.519358      4.212452
  H      -3.377061     -7.646828      4.549762
  H      -2.039584     -7.727804      3.377034
  H      -6.777938     -7.100579      3.575958
  H      -5.462848     -7.041409      4.758427
  H      -5.211270     -6.686683      1.753568
  H      -4.652008     -8.103585      2.674215
  H      -2.953389     -4.608749      0.127259
  H      -4.525435     -5.133803      0.710875
  H      -1.818952     -5.767622      1.969931
  H      -2.835523     -6.921186      1.068076
  C       1.199419     -1.758661      2.696077
  N      -0.071886     -1.085293      2.885165
  C      -0.980649     -1.789325      3.781395
  C      -1.705671     -2.959391      3.113541
  C      -2.624420     -2.681846      1.887418
  C      -1.732205     -2.579598      0.628476
  C      -2.454401     -2.141121     -0.646328
  C      -3.199275     -0.831323     -0.427042
  C      -4.137387     -0.989184      0.761452
  C      -3.336288     -1.318158      2.016473
  C     -10.431984     -5.877338      6.116795
  N      -9.171078     -6.444995      5.681409
  C      -8.001821     -5.709240      6.141557
  C      -7.728382     -4.414441      5.370189
  C      -7.186629     -4.552208      3.912393
  C      -8.296656     -5.239874      3.083824
  C      -8.022385     -5.298781      1.581171
  C      -7.422167     -3.986054      1.065807
  C      -7.737073     -2.852392      2.029895
  C      -7.010512     -3.113836      3.346268
  C      -3.558965     -0.709695      8.512085
  N      -2.993152     -1.627906      7.535787
  C      -2.222198     -2.713449      8.139180
  C      -1.891374     -3.774856      7.088181
  C      -2.914290     -4.939355      6.824895
  C      -2.467896     -6.170467      7.652322
  C      -2.697407     -6.011377      9.154712
  C      -4.155925     -5.668731      9.495326
  C      -4.996008     -5.563570      8.226975
  C      -4.370378     -4.593425      7.228447
  H       1.729506     -1.953729      3.641614
  H       1.831359     -1.143420      2.058084
  H       1.028970     -2.711213      2.197025
  H       0.104473     -0.154206      3.250699
  H      -0.432702     -2.184111      4.659667
  H      -1.716289     -1.069479      4.149140
  H      -0.962507     -3.704009      2.816648
  H      -2.394399     -3.413561      3.862681
  H      -1.208241     -3.523624      0.452319
  H      -0.976464     -1.829155      0.866576
  H      -1.717987     -2.028079     -1.447365
  H      -3.175940     -2.896453     -0.963049
  H      -3.761219     -0.566410     -1.325714
  H      -2.484728     -0.029408     -0.224280
  H      -4.706859     -0.069795      0.918667
  H      -4.840751     -1.802449      0.572552
  H      -4.017846     -1.361321      2.865639
  H      -2.596097     -0.533620      2.176819
  H     -10.493299     -5.744578      7.208928
  H     -10.568804     -4.904859      5.646749
  H     -11.241496     -6.530529      5.795655
  H      -9.108845     -7.399865      6.020793
  H      -8.108018     -5.443855      7.210741
  H      -7.134284     -6.360710      6.047422
  H      -6.988313     -3.858407      5.950983
  H      -8.643284     -3.820194      5.341936
  H      -8.510364     -6.233924      3.470662
  H      -9.204259     -4.658079      3.249819
  H      -8.969957     -5.502731      1.074719
  H      -7.351465     -6.127552      1.352042
  H      -7.794834     -3.762657      0.063565
  H      -6.335366     -4.068964      1.015513
  H      -8.816404     -2.768448      2.176511
  H      -7.387318     -1.903090      1.618117
  H      -5.931746     -3.018327      3.159879
  H      -7.321767     -2.366530      4.079790
  H      -4.282716     -1.250340      9.122317
  H      -4.075346      0.091059      7.985296
  H      -2.806218     -0.267792      9.178193
  H      -2.375245     -1.108030      6.916232
  H      -2.816602     -3.133861      8.950570
  H      -1.286138     -2.334358      8.583430
  H      -1.756670     -3.257756      6.133697
  H      -0.929738     -4.226374      7.341737
  H      -1.401579     -6.357924      7.506258
  H      -3.008432     -7.046510      7.289419
  H      -2.408145     -6.946774      9.639403
  H      -2.027749     -5.237877      9.533391
  H      -4.582791     -6.428576     10.152737
  H      -4.203628     -4.717927     10.031232
  H      -5.997322     -5.210041      8.482252
  H      -5.107179     -6.549920      7.775363
  H      -4.434240     -3.592007      7.647123
  H      -4.939277     -4.624841      6.293310
  N      -4.833081     -2.943739      5.249182
  N      -5.354178     -1.989913      6.163006
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.409328271478
  N      -3.641587     -3.722151      1.916137
  C      -3.510941     -4.850126      1.022887
  C      -2.847789     -6.042168      1.730977
  N      -3.574665     -6.296497      2.977966
  C      -4.834459     -7.011788      2.723944
  C      -5.845882     -6.603213      3.794382
  N      -5.902364     -5.155756      3.842844
  Mo     -4.077036     -4.344344      3.860607
  N      -2.980072     -5.155902      5.399880
  C      -1.999250     -6.046437      4.827535
  C      -2.743531     -7.035758      3.933798
  H      -1.434423     -6.624064      5.569635
  H      -1.245327     -5.501345      4.225636
  H      -3.399248     -7.624873      4.582780
  H      -2.054626     -7.721125      3.415090
  H      -6.807446     -7.078666      3.572055
  H      -5.501826     -7.006066      4.767191
  H      -5.225769     -6.693922      1.754673
  H      -4.673867     -8.101142      2.700491
  H      -2.936083     -4.633789      0.115873
  H      -4.516225     -5.153899      0.689812
  H      -1.816320     -5.771157      1.983892
  H      -2.826486     -6.937671      1.085339
  C       1.215471     -1.720379      2.764411
  N      -0.066092     -1.051914      2.931849
  C      -0.996753     -1.770468      3.793586
  C      -1.710733     -2.937912      3.106986
  C      -2.617227     -2.676050      1.866357
  C      -1.716560     -2.592508      0.611729
  C      -2.432395     -2.169510     -0.675038
  C      -3.181031     -0.854252     -0.476816
  C      -4.127412     -0.996814      0.710868
  C      -3.333902     -1.310539      1.977439
  C     -10.449375     -5.854501      6.154741
  N      -9.177901     -6.415490      5.728833
  C      -8.017607     -5.631972      6.144053
  C      -7.768117     -4.358830      5.323538
  C      -7.227715     -4.522318      3.862456
  C      -8.313815     -5.250690      3.033391
  C      -8.028487     -5.330477      1.530723
  C      -7.460669     -4.008285      0.992351
  C      -7.815246     -2.866103      1.938482
  C      -7.087913     -3.082760      3.265207
  C      -3.572498     -0.767653      8.595615
  N      -2.984737     -1.658308      7.608585
  C      -2.191436     -2.741446      8.186121
  C      -1.875989     -3.770197      7.101126
  C      -2.909240     -4.929752      6.847819
  C      -2.431643     -6.184288      7.626051
  C      -2.599720     -6.070090      9.143065
  C      -4.044497     -5.741014      9.556922
  C      -4.936439     -5.602252      8.327279
  C      -4.354300     -4.602536      7.328200
  H       1.723203     -1.932639      3.722403
  H       1.866478     -1.091940      2.152412
  H       1.063677     -2.668360      2.242000
  H       0.093294     -0.125135      3.321113
  H      -0.469551     -2.174381      4.682528
  H      -1.743231     -1.053129      4.151293
  H      -0.964042     -3.689190      2.824361
  H      -2.407097     -3.380305      3.850557
  H      -1.190187     -3.542427      0.452242
  H      -0.959274     -1.838260      0.846982
  H      -1.689455     -2.067984     -1.475801
  H      -3.154776     -2.931614     -0.987472
  H      -3.739096     -0.599907     -1.385179
  H      -2.465601     -0.046245     -0.280053
  H      -4.701474     -0.074298      0.854470
  H      -4.832059     -1.816058      0.525974
  H      -4.022880     -1.345340      2.827073
  H      -2.593313     -0.520919      2.136642
  H     -10.502873     -5.672640      7.243902
  H     -10.616193     -4.903279      5.643038
  H     -11.252548     -6.539393      5.872800
  H      -9.089924     -7.355136      6.110339
  H      -8.120314     -5.324782      7.204781
  H      -7.135734     -6.273154      6.069789
  H      -7.030861     -3.769549      5.887811
  H      -8.694992     -3.777071      5.280085
  H      -8.508540     -6.243682      3.439858
  H      -9.238510     -4.685619      3.181989
  H      -8.969912     -5.568358      1.020970
  H      -7.334067     -6.149908      1.319821
  H      -7.834434     -3.813011     -0.018894
  H      -6.367670     -4.060104      0.947066
  H      -8.901427     -2.810788      2.078503
  H      -7.490803     -1.910589      1.511464
  H      -6.015690     -2.952438      3.075818
  H      -7.420534     -2.331632      3.988103
  H      -4.292639     -1.343357      9.187546
  H      -4.108011      0.031909      8.078554
  H      -2.834342     -0.316061      9.279637
  H      -2.374679     -1.120216      6.989355
  H      -2.768555     -3.190997      8.999744
  H      -1.251329     -2.359992      8.628489
  H      -1.769802     -3.225177      6.156756
  H      -0.902080     -4.226749      7.312883
  H      -1.368552     -6.365413      7.432317
  H      -2.986327     -7.054313      7.257904
  H      -2.287543     -7.020645      9.589196
  H      -1.912746     -5.304127      9.516633
  H      -4.443523     -6.522047     10.212852
  H      -4.070824     -4.803022     10.123211
  H      -5.929736     -5.257410      8.634302
  H      -5.067022     -6.580169      7.851648
  H      -4.403005     -3.610452      7.775519
  H      -4.967964     -4.612398      6.426498
  N      -4.838144     -2.859655      5.135894
  N      -5.326552     -1.945207      5.920770
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.454967269756
  N      -3.641477     -3.720479      1.918401
  C      -3.511986     -4.851664      1.017502
  C      -2.847923     -6.043989      1.721115
  N      -3.577783     -6.300195      2.975020
  C      -4.845038     -7.015986      2.721237
  C      -5.853013     -6.604996      3.792065
  N      -5.906300     -5.149900      3.838537
  Mo     -4.080267     -4.338947      3.860182
  N      -2.983602     -5.154133      5.398194
  C      -1.999537     -6.054910      4.823582
  C      -2.743660     -7.044688      3.934908
  H      -1.434915     -6.632196      5.566655
  H      -1.243998     -5.512527      4.220068
  H      -3.401751     -7.633449      4.584746
  H      -2.056614     -7.733210      3.414650
  H      -6.817200     -7.078366      3.569383
  H      -5.512053     -7.008821      4.766303
  H      -5.236541     -6.696938      1.750212
  H      -4.685331     -8.106704      2.697047
  H      -2.937407     -4.631803      0.109257
  H      -4.519028     -5.154047      0.682754
  H      -1.814614     -5.774308      1.975119
  H      -2.827060     -6.940654      1.074446
  C       1.233330     -1.716303      2.769856
  N      -0.049098     -1.044233      2.940322
  C      -0.983433     -1.767534      3.797380
  C      -1.699540     -2.931112      3.106438
  C      -2.609318     -2.669787      1.867812
  C      -1.715692     -2.593295      0.608254
  C      -2.438393     -2.168693     -0.676544
  C      -3.182487     -0.847761     -0.475179
  C      -4.123131     -0.984532      0.720567
  C      -3.323524     -1.301387      1.984641
  C     -10.455227     -5.869177      6.162017
  N      -9.179340     -6.427096      5.735674
  C      -8.021808     -5.629054      6.145157
  C      -7.783767     -4.357428      5.317119
  C      -7.244245     -4.518005      3.854823
  C      -8.317644     -5.261176      3.021211
  C      -8.028117     -5.339075      1.517224
  C      -7.477231     -4.007509      0.976236
  C      -7.851595     -2.868597      1.923348
  C      -7.123377     -3.072562      3.253691
  C      -3.570758     -0.773554      8.605017
  N      -2.971729     -1.662551      7.622454
  C      -2.179025     -2.746498      8.199994
  C      -1.865122     -3.771938      7.109895
  C      -2.906154     -4.925814      6.857401
  C      -2.430404     -6.183442      7.633572
  C      -2.591980     -6.067481      9.152867
  C      -4.036305     -5.731306      9.574441
  C      -4.934210     -5.588120      8.347847
  C      -4.352042     -4.590083      7.344728
  H       1.740619     -1.939026      3.728717
  H       1.890820     -1.085356      2.162347
  H       1.081875     -2.662823      2.238237
  H       0.109433     -0.119402      3.338101
  H      -0.459079     -2.178671      4.686387
  H      -1.730697     -1.049830      4.158724
  H      -0.954901     -3.687414      2.822097
  H      -2.394525     -3.369939      3.853916
  H      -1.192363     -3.548022      0.448976
  H      -0.951755     -1.840472      0.839563
  H      -1.698674     -2.072206     -1.484008
  H      -3.167419     -2.930480     -0.984489
  H      -3.745974     -0.591205     -1.382683
  H      -2.460775     -0.039969     -0.283843
  H      -4.695429     -0.058690      0.867985
  H      -4.833752     -1.802995      0.538561
  H      -4.008636     -1.334547      2.841740
  H      -2.577581     -0.512366      2.142301
  H     -10.508096     -5.678695      7.252531
  H     -10.631970     -4.919477      5.644266
  H     -11.259198     -6.560620      5.887213
  H      -9.085114     -7.365224      6.123475
  H      -8.124437     -5.314909      7.205845
  H      -7.132706     -6.265827      6.074672
  H      -7.050068     -3.757973      5.879043
  H      -8.717890     -3.781482      5.272049
  H      -8.502397     -6.257609      3.430316
  H      -9.251651     -4.706158      3.167869
  H      -8.967071     -5.590780      1.004732
  H      -7.321605     -6.152428      1.308033
  H      -7.852062     -3.818562     -0.038341
  H      -6.380745     -4.043788      0.931420
  H      -8.941820     -2.829712      2.060923
  H      -7.540971     -1.905588      1.496374
  H      -6.054830     -2.920838      3.062444
  H      -7.466037     -2.326448      3.979536
  H      -4.297978     -1.355124      9.188832
  H      -4.107226      0.026421      8.083624
  H      -2.842129     -0.316183      9.301318
  H      -2.358060     -1.124469      7.004931
  H      -2.759207     -3.199976      9.013163
  H      -1.237896     -2.367821      8.648949
  H      -1.756855     -3.223077      6.166678
  H      -0.890091     -4.235080      7.318194
  H      -1.367129     -6.369702      7.435407
  H      -2.991249     -7.053810      7.266617
  H      -2.280403     -7.020707      9.599116
  H      -1.897931     -5.302707      9.524091
  H      -4.436074     -6.511666     10.234972
  H      -4.056247     -4.790795     10.141988
  H      -5.927284     -5.238284      8.659294
  H      -5.071861     -6.568367      7.872222
  H      -4.394011     -3.593889      7.790948
  H      -4.973189     -4.595947      6.447761
  N      -4.807533     -2.837992      5.083578
  N      -5.244686     -2.009214      5.761490
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.467307983220
  N      -3.619272     -3.728329      1.922020
  C      -3.496034     -4.860380      1.011427
  C      -2.845629     -6.058916      1.708465
  N      -3.584793     -6.316871      2.965967
  C      -4.862339     -7.025263      2.704808
  C      -5.867685     -6.605475      3.770190
  N      -5.914477     -5.142300      3.817485
  Mo     -4.084376     -4.337775      3.853822
  N      -3.004273     -5.165428      5.391646
  C      -2.013110     -6.075250      4.818834
  C      -2.753284     -7.068461      3.934703
  H      -1.450831     -6.648361      5.567957
  H      -1.252554     -5.537250      4.216892
  H      -3.418622     -7.655758      4.581338
  H      -2.070246     -7.761487      3.411710
  H      -6.836574     -7.070058      3.543659
  H      -5.538828     -7.015182      4.746401
  H      -5.244076     -6.704251      1.728458
  H      -4.706782     -8.117977      2.680972
  H      -2.916911     -4.634567      0.105720
  H      -4.504398     -5.152219      0.666578
  H      -1.810356     -5.799657      1.971671
  H      -2.828002     -6.957843      1.062093
  C       1.271374     -1.718448      2.774003
  N      -0.007097     -1.038418      2.954400
  C      -0.944747     -1.771339      3.805101
  C      -1.659494     -2.928915      3.103751
  C      -2.584238     -2.666204      1.874691
  C      -1.718394     -2.598902      0.597539
  C      -2.467875     -2.169111     -0.672227
  C      -3.206245     -0.844163     -0.455100
  C      -4.122251     -0.969961      0.763782
  C      -3.301134     -1.299253      2.012178
  C     -10.431353     -5.897381      6.176310
  N      -9.153851     -6.449707      5.741271
  C      -8.000221     -5.633856      6.138191
  C      -7.791417     -4.360900      5.305040
  C      -7.263108     -4.507609      3.840108
  C      -8.320446     -5.272524      3.006846
  C      -8.030929     -5.345250      1.500790
  C      -7.505910     -4.002822      0.952931
  C      -7.898485     -2.868216      1.900539
  C      -7.167891     -3.058278      3.233506
  C      -3.567278     -0.767928      8.642591
  N      -2.967705     -1.644861      7.646744
  C      -2.174986     -2.740617      8.204846
  C      -1.882554     -3.771205      7.109093
  C      -2.929366     -4.921917      6.858700
  C      -2.439188     -6.170735      7.638487
  C      -2.585221     -6.037605      9.160217
  C      -4.031097     -5.706477      9.595383
  C      -4.942397     -5.584701      8.374770
  C      -4.378499     -4.593514      7.352852
  H       1.776799     -1.967181      3.730417
  H       1.939946     -1.083622      2.178197
  H       1.115873     -2.655838      2.222097
  H       0.154729     -0.120552      3.368736
  H      -0.426954     -2.193314      4.694662
  H      -1.693938     -1.056996      4.175238
  H      -0.923566     -3.697067      2.818948
  H      -2.350035     -3.361274      3.864926
  H      -1.201421     -3.558717      0.432350
  H      -0.941353     -1.850761      0.814394
  H      -1.746432     -2.078815     -1.499544
  H      -3.207218     -2.930501     -0.965214
  H      -3.787189     -0.582609     -1.352909
  H      -2.475019     -0.036891     -0.282108
  H      -4.689500     -0.040454      0.924435
  H      -4.846064     -1.782420      0.593755
  H      -3.965587     -1.335582      2.888716
  H      -2.550038     -0.510082      2.164829
  H     -10.476601     -5.694541      7.267671
  H     -10.625693     -4.951229      5.652606
  H     -11.237340     -6.596456      5.916860
  H      -9.049896     -7.385201      6.134597
  H      -8.092753     -5.317004      7.200921
  H      -7.100580     -6.260104      6.065761
  H      -7.066456     -3.746107      5.859598
  H      -8.735538     -3.794438      5.269619
  H      -8.495716     -6.271412      3.419626
  H      -9.265140     -4.731495      3.158059
  H      -8.967161     -5.617632      0.989483
  H      -7.311009     -6.149294      1.288587
  H      -7.884135     -3.823136     -0.064197
  H      -6.406779     -4.020891      0.902118
  H      -8.992024     -2.847036      2.037115
  H      -7.607536     -1.896245      1.473949
  H      -6.103124     -2.874292      3.039878
  H      -7.518891     -2.317786      3.964612
  H      -4.303869     -1.353717      9.214944
  H      -4.104029      0.043118      8.132999
  H      -2.844045     -0.319383      9.355358
  H      -2.362351     -1.104316      7.024103
  H      -2.752541     -3.191588      9.024716
  H      -1.224246     -2.378011      8.652468
  H      -1.775919     -3.221865      6.164592
  H      -0.906662     -4.242786      7.308709
  H      -1.375704     -6.353136      7.430290
  H      -2.997237     -7.051412      7.283819
  H      -2.257566     -6.982959      9.616572
  H      -1.890258     -5.263032      9.516796
  H      -4.416880     -6.481240     10.274236
  H      -4.053898     -4.757057     10.152823
  H      -5.940918     -5.243166      8.687007
  H      -5.073879     -6.575041      7.913129
  H      -4.428111     -3.585920      7.780944
  H      -5.016632     -4.613142      6.464985
  N      -4.751178     -2.775320      4.976469
  N      -5.168264     -1.939110      5.583948
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.476960298488
  N      -3.600603     -3.738555      1.936859
  C      -3.481145     -4.866687      1.012807
  C      -2.838581     -6.071819      1.697051
  N      -3.585128     -6.339966      2.955582
  C      -4.869864     -7.043629      2.685906
  C      -5.874483     -6.620535      3.746559
  N      -5.919379     -5.150687      3.795405
  Mo     -4.089920     -4.347454      3.852948
  N      -3.020447     -5.186303      5.383296
  C      -2.022166     -6.101572      4.812092
  C      -2.755619     -7.098080      3.930527
  H      -1.460766     -6.668596      5.567484
  H      -1.258505     -5.565400      4.212520
  H      -3.427046     -7.687217      4.571211
  H      -2.075081     -7.791783      3.403168
  H      -6.846056     -7.078154      3.514792
  H      -5.557762     -7.036258      4.724444
  H      -5.242091     -6.720057      1.705011
  H      -4.714728     -8.137360      2.659780
  H      -2.900307     -4.628797      0.110236
  H      -4.490080     -5.149416      0.658175
  H      -1.802539     -5.820322      1.970031
  H      -2.821298     -6.970091      1.048089
  C       1.293361     -1.698853      2.770362
  N       0.016283     -1.018882      2.966556
  C      -0.915140     -1.765228      3.816907
  C      -1.624499     -2.922178      3.110678
  C      -2.567374     -2.661509      1.894108
  C      -1.730579     -2.596891      0.599824
  C      -2.510350     -2.165984     -0.652319
  C      -3.249638     -0.842607     -0.418116
  C      -4.137710     -0.963420      0.823483
  C      -3.292344     -1.300801      2.053581
  C     -10.415607     -5.880204      6.194881
  N      -9.142193     -6.443681      5.757835
  C      -7.984613     -5.618467      6.133290
  C      -7.790833     -4.355535      5.282626
  C      -7.275434     -4.507575      3.817598
  C      -8.322209     -5.288206      2.985557
  C      -8.028998     -5.367404      1.479466
  C      -7.515297     -4.023543      0.919248
  C      -7.918388     -2.885888      1.859781
  C      -7.190922     -3.061743      3.197506
  C      -3.558603     -0.785808      8.683598
  N      -2.960557     -1.643954      7.670287
  C      -2.165655     -2.749457      8.203836
  C      -1.892291     -3.781191      7.101677
  C      -2.946592     -4.925215      6.854947
  C      -2.452929     -6.169164      7.639972
  C      -2.583264     -6.015616      9.162803
  C      -4.026125     -5.672513      9.610112
  C      -4.949385     -5.562494      8.396312
  C      -4.392862     -4.586767      7.354376
  H       1.803662     -1.968569      3.720838
  H       1.965403     -1.057836      2.181483
  H       1.136367     -2.628210      2.201136
  H       0.178097     -0.106414      3.394606
  H      -0.397113     -2.192816      4.705009
  H      -1.668260     -1.058650      4.197881
  H      -0.894913     -3.697975      2.823595
  H      -2.303226     -3.351359      3.888219
  H      -1.214168     -3.557595      0.427947
  H      -0.944926     -1.849405      0.801089
  H      -1.810020     -2.077032     -1.499696
  H      -3.254921     -2.931277     -0.929319
  H      -3.850096     -0.579099     -1.304537
  H      -2.514141     -0.031950     -0.264621
  H      -4.704233     -0.034028      0.997988
  H      -4.870770     -1.773588      0.666771
  H      -3.932779     -1.343132      2.949134
  H      -2.539666     -0.508714      2.200483
  H     -10.451838     -5.653424      7.283992
  H     -10.618125     -4.941883      5.655921
  H     -11.229599     -6.581126      5.957756
  H      -9.038421     -7.373458      6.166246
  H      -8.063668     -5.287255      7.194139
  H      -7.081717     -6.243773      6.065821
  H      -7.066998     -3.724875      5.822674
  H      -8.738082     -3.789084      5.251460
  H      -8.500497     -6.284484      3.406668
  H      -9.272355     -4.751227      3.135354
  H      -8.963070     -5.653898      0.968280
  H      -7.303655     -6.170158      1.270805
  H      -7.891869     -3.855257     -0.102093
  H      -6.413828     -4.033836      0.865356
  H      -9.014776     -2.871763      1.992196
  H      -7.637680     -1.910434      1.429747
  H      -6.129574     -2.856862      3.003504
  H      -7.543574     -2.319774      3.928767
  H      -4.299546     -1.379769      9.245702
  H      -4.100384      0.035276      8.191142
  H      -2.839380     -0.346854      9.410441
  H      -2.368485     -1.096584      7.041345
  H      -2.739621     -3.200611      9.029120
  H      -1.205826     -2.403606      8.649750
  H      -1.786753     -3.230504      6.156445
  H      -0.916654     -4.260965      7.293327
  H      -1.391230     -6.357805      7.422511
  H      -3.015314     -7.055343      7.299204
  H      -2.249853     -6.955221      9.630596
  H      -1.879860     -5.239027      9.503891
  H      -4.406332     -6.435591     10.307832
  H      -4.040707     -4.713926     10.155940
  H      -5.948452     -5.217337      8.709275
  H      -5.086474     -6.561348      7.950267
  H      -4.435796     -3.567049      7.761861
  H      -5.048542     -4.610039      6.475690
  N      -4.692507     -2.734944      4.871122
  N      -5.111899     -1.844951      5.443041
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.482477653980
  N      -3.586949     -3.750282      1.967022
  C      -3.464047     -4.869015      1.028647
  C      -2.823965     -6.080735      1.697326
  N      -3.577914     -6.367528      2.948615
  C      -4.862756     -7.070219      2.666273
  C      -5.874720     -6.649681      3.719425
  N      -5.922949     -5.177374      3.772770
  Mo     -4.101790     -4.369176      3.859630
  N      -3.036284     -5.214415      5.377408
  C      -2.029770     -6.126703      4.812333
  C      -2.751698     -7.126581      3.927828
  H      -1.469463     -6.684239      5.576153
  H      -1.265887     -5.586220      4.218431
  H      -3.428123     -7.721794      4.557132
  H      -2.068123     -7.814675      3.398394
  H      -6.845856     -7.102633      3.478888
  H      -5.571662     -7.069427      4.699480
  H      -5.222597     -6.744970      1.681220
  H      -4.703918     -8.163247      2.637256
  H      -2.882475     -4.615110      0.131904
  H      -4.471380     -5.144072      0.664025
  H      -1.790080     -5.833745      1.983047
  H      -2.801808     -6.973616      1.042229
  C       1.289845     -1.661115      2.751122
  N       0.014416     -0.986287      2.968622
  C      -0.900504     -1.742485      3.829183
  C      -1.604691     -2.908062      3.133271
  C      -2.562902     -2.654776      1.928108
  C      -1.744428     -2.583788      0.623728
  C      -2.546247     -2.162614     -0.616525
  C      -3.298214     -0.849420     -0.374987
  C      -4.165829     -0.971466      0.879614
  C      -3.303359     -1.305557      2.096679
  C     -10.399895     -5.832577      6.217555
  N      -9.138698     -6.418745      5.775836
  C      -7.967992     -5.601557      6.127942
  C      -7.773670     -4.351923      5.261439
  C      -7.279144     -4.520598      3.796760
  C      -8.332473     -5.294410      2.967536
  C      -8.038029     -5.384840      1.463463
  C      -7.507196     -4.051320      0.894794
  C      -7.896539     -2.904622      1.828181
  C      -7.176035     -3.083870      3.168423
  C      -3.544473     -0.816114      8.709451
  N      -2.962388     -1.660082      7.679169
  C      -2.156604     -2.765775      8.187514
  C      -1.900446     -3.796547      7.081373
  C      -2.959727     -4.936065      6.847461
  C      -2.478749     -6.180890      7.639767
  C      -2.598092     -6.009472      9.161462
  C      -4.032639     -5.636674      9.612630
  C      -4.960823     -5.526706      8.403040
  C      -4.397412     -4.574503      7.343563
  H       1.812580     -1.942496      3.691415
  H       1.955975     -1.015041      2.161067
  H       1.129586     -2.584403      2.172775
  H       0.177793     -0.076311      3.401876
  H      -0.372775     -2.164452      4.714218
  H      -1.656515     -1.044285      4.218548
  H      -0.878353     -3.686031      2.844860
  H      -2.262586     -3.337236      3.928688
  H      -1.218211     -3.538113      0.449672
  H      -0.960754     -1.830099      0.812952
  H      -1.862022     -2.068895     -1.476153
  H      -3.284528     -2.938159     -0.881920
  H      -3.912162     -0.592633     -1.253838
  H      -2.568917     -0.029840     -0.237071
  H      -4.736723     -0.046332      1.060302
  H      -4.900687     -1.783620      0.734029
  H      -3.923545     -1.351577      3.002404
  H      -2.555789     -0.507290      2.237986
  H     -10.421429     -5.583874      7.302220
  H     -10.601362     -4.901836      5.665301
  H     -11.226521     -6.526275      6.004076
  H      -9.043674     -7.343198      6.198390
  H      -8.027071     -5.258360      7.186027
  H      -7.072675     -6.237386      6.059990
  H      -7.037746     -3.714796      5.782451
  H      -8.714083     -3.773446      5.237826
  H      -8.532705     -6.283419      3.395578
  H      -9.276087     -4.743656      3.114724
  H      -8.974459     -5.664244      0.952402
  H      -7.324977     -6.199390      1.258268
  H      -7.878439     -3.885400     -0.128753
  H      -6.405384     -4.076236      0.838594
  H      -8.993345     -2.874629      1.955853
  H      -7.604850     -1.933254      1.396606
  H      -6.114314     -2.884360      2.977106
  H      -7.514890     -2.335580      3.899659
  H      -4.275867     -1.415903      9.278451
  H      -4.099034      0.007888      8.236378
  H      -2.818257     -0.380700      9.431607
  H      -2.395750     -1.106431      7.032478
  H      -2.716556     -3.217344      9.022447
  H      -1.187966     -2.428723      8.621017
  H      -1.802555     -3.245500      6.134971
  H      -0.923584     -4.277400      7.261085
  H      -1.421740     -6.387847      7.416466
  H      -3.054242     -7.063640      7.311830
  H      -2.274787     -6.947162      9.640129
  H      -1.879781     -5.242042      9.490960
  H      -4.419619     -6.382653     10.324714
  H      -4.028186     -4.671303     10.146579
  H      -5.955276     -5.167001      8.713274
  H      -5.113454     -6.530278      7.971826
  H      -4.422788     -3.545011      7.727125
  H      -5.062761     -4.594411      6.470672
  N      -4.649965     -2.726890      4.778581
  N      -5.062021     -1.799117      5.307519
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.485478301412
  N      -3.573027     -3.745124      2.010401
  C      -3.458240     -4.848357      1.053318
  C      -2.827958     -6.074912      1.699592
  N      -3.585110     -6.380995      2.940937
  C      -4.871412     -7.074710      2.649114
  C      -5.889176     -6.653274      3.696793
  N      -5.931263     -5.183064      3.757329
  Mo     -4.114332     -4.382046      3.876929
  N      -3.051090     -5.245060      5.375447
  C      -2.041551     -6.148990      4.807591
  C      -2.761068     -7.144854      3.915583
  H      -1.481205     -6.704106      5.572199
  H      -1.279165     -5.601397      4.218521
  H      -3.439601     -7.746822      4.535226
  H      -2.076270     -7.826470      3.380305
  H      -6.863814     -7.094089      3.444912
  H      -5.601801     -7.080367      4.678067
  H      -5.221161     -6.744605      1.662456
  H      -4.717241     -8.168025      2.615818
  H      -2.876290     -4.581619      0.161742
  H      -4.467345     -5.107092      0.683041
  H      -1.793723     -5.840757      1.993489
  H      -2.809606     -6.956905      1.030884
  C       1.292657     -1.639711      2.728202
  N       0.025551     -0.959766      2.969791
  C      -0.876269     -1.713921      3.845343
  C      -1.586949     -2.887972      3.169085
  C      -2.557005     -2.638269      1.972406
  C      -1.749999     -2.564045      0.660393
  C      -2.566548     -2.159365     -0.574337
  C      -3.333651     -0.857087     -0.336262
  C      -4.184616     -0.975260      0.928228
  C      -3.307701     -1.296028      2.136415
  C     -10.382904     -5.808186      6.217407
  N      -9.120242     -6.395893      5.784618
  C      -7.952617     -5.570474      6.122755
  C      -7.770712     -4.332870      5.240199
  C      -7.286354     -4.520921      3.778334
  C      -8.331931     -5.315226      2.963432
  C      -8.029274     -5.430559      1.463738
  C      -7.507441     -4.104062      0.871216
  C      -7.906107     -2.944044      1.780671
  C      -7.188844     -3.097957      3.124289
  C      -3.509394     -0.839310      8.723081
  N      -2.953279     -1.682257      7.680576
  C      -2.136890     -2.787355      8.167339
  C      -1.902985     -3.819579      7.058441
  C      -2.968495     -4.954336      6.841584
  C      -2.503712     -6.198116      7.645042
  C      -2.614333     -6.009418      9.164740
  C      -4.039004     -5.604200      9.616121
  C      -4.970582     -5.495955      8.410079
  C      -4.398539     -4.570188      7.333135
  H       1.827653     -1.932976      3.657142
  H       1.954246     -0.993935      2.133926
  H       1.118730     -2.556319      2.144443
  H       0.201976     -0.052038      3.402330
  H      -0.337152     -2.127676      4.727254
  H      -1.629075     -1.016282      4.240198
  H      -0.865987     -3.669358      2.878710
  H      -2.222223     -3.318372      3.982833
  H      -1.213269     -3.512027      0.488209
  H      -0.971494     -1.803285      0.838315
  H      -1.893424     -2.062883     -1.441685
  H      -3.295448     -2.946270     -0.829068
  H      -3.957966     -0.614470     -1.211059
  H      -2.614108     -0.026962     -0.215080
  H      -4.757157     -0.051680      1.107553
  H      -4.921393     -1.789461      0.799341
  H      -3.911534     -1.332930      3.048219
  H      -2.563998     -0.492492      2.264408
  H     -10.402913     -5.536827      7.295918
  H     -10.592379     -4.890922      5.647314
  H     -11.205970     -6.510043      6.021129
  H      -9.022172     -7.312439      6.222759
  H      -8.006369     -5.216768      7.177176
  H      -7.055395     -6.203446      6.058696
  H      -7.036860     -3.679106      5.743534
  H      -8.713164     -3.758767      5.216334
  H      -8.531411     -6.296381      3.410780
  H      -9.278835     -4.767226      3.097444
  H      -8.959897     -5.728860      0.953724
  H      -7.309630     -6.242925      1.276248
  H      -7.875783     -3.961576     -0.156332
  H      -6.405345     -4.119240      0.816163
  H      -9.003101     -2.916218      1.902507
  H      -7.618912     -1.978678      1.334515
  H      -6.129990     -2.891049      2.932937
  H      -7.529196     -2.338511      3.842596
  H      -4.229837     -1.435491      9.308663
  H      -4.071308     -0.012719      8.264874
  H      -2.767121     -0.407768      9.429844
  H      -2.416389     -1.129430      7.009245
  H      -2.677492     -3.236260      9.015562
  H      -1.157853     -2.455217      8.579892
  H      -1.817117     -3.268733      6.111040
  H      -0.924329     -4.301229      7.221501
  H      -1.452081     -6.425584      7.418879
  H      -3.094288     -7.074268      7.329460
  H      -2.305762     -6.945972      9.654128
  H      -1.880731     -5.253178      9.483746
  H      -4.435454     -6.331302     10.341348
  H      -4.014005     -4.632370     10.136375
  H      -5.959395     -5.120733      8.717050
  H      -5.138728     -6.503263      7.994820
  H      -4.408452     -3.533002      7.692912
  H      -5.069041     -4.590490      6.464163
  N      -4.618906     -2.725802      4.745337
  N      -5.006136     -1.768754      5.253819
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.487521646090
  N      -3.554281     -3.758688      2.031401
  C      -3.434595     -4.853533      1.066423
  C      -2.811845     -6.085826      1.707043
  N      -3.578932     -6.405280      2.934303
  C      -4.859502     -7.098117      2.626948
  C      -5.894210     -6.676466      3.658954
  N      -5.940248     -5.208141      3.726182
  Mo     -4.131265     -4.405357      3.876140
  N      -3.071131     -5.265956      5.371855
  C      -2.052692     -6.161341      4.813845
  C      -2.760454     -7.161817      3.915510
  H      -1.496276     -6.709613      5.586088
  H      -1.288924     -5.609198      4.230325
  H      -3.440924     -7.768407      4.528092
  H      -2.065623     -7.838470      3.386730
  H      -6.865463     -7.115353      3.393611
  H      -5.620743     -7.106982      4.642663
  H      -5.195093     -6.771338      1.634591
  H      -4.705355     -8.191527      2.597968
  H      -2.845512     -4.582036      0.182188
  H      -4.441167     -5.107425      0.686159
  H      -1.780296     -5.855285      2.012228
  H      -2.787536     -6.960473      1.029158
  C       1.282015     -1.606908      2.714426
  N       0.015635     -0.926962      2.957305
  C      -0.880078     -1.674360      3.843479
  C      -1.584893     -2.866632      3.191069
  C      -2.553310     -2.635229      1.990615
  C      -1.738204     -2.560789      0.681134
  C      -2.546638     -2.170927     -0.563490
  C      -3.328534     -0.876182     -0.342745
  C      -4.184615     -0.988047      0.917482
  C      -3.313286     -1.295826      2.132004
  C     -10.350522     -5.830256      6.245500
  N      -9.097389     -6.421457      5.791574
  C      -7.919597     -5.606729      6.116108
  C      -7.747710     -4.361126      5.244029
  C      -7.290738     -4.538065      3.772770
  C      -8.358038     -5.305567      2.960797
  C      -8.070314     -5.407641      1.457822
  C      -7.532014     -4.083622      0.876347
  C      -7.901468     -2.926731      1.801177
  C      -7.178665     -3.109746      3.137708
  C      -3.461081     -0.844872      8.749925
  N      -2.938371     -1.692205      7.694835
  C      -2.121466     -2.804942      8.158416
  C      -1.913956     -3.834485      7.041471
  C      -2.990536     -4.959103      6.833125
  C      -2.548959     -6.201883      7.649645
  C      -2.659403     -5.999013      9.167034
  C      -4.075261     -5.558623      9.610920
  C      -5.004533     -5.448938      8.403838
  C      -4.416576     -4.549809      7.313948
  H       1.818101     -1.898988      3.642689
  H       1.942240     -0.961397      2.119092
  H       1.107598     -2.523667      2.131910
  H       0.195588     -0.016092      3.381453
  H      -0.336753     -2.067623      4.732408
  H      -1.638381     -0.976423      4.226846
  H      -0.859510     -3.647499      2.910697
  H      -2.201908     -3.296782      4.017455
  H      -1.189261     -3.503443      0.519343
  H      -0.968190     -1.792636      0.859384
  H      -1.867474     -2.073063     -1.425692
  H      -3.264493     -2.965783     -0.821704
  H      -3.948058     -0.647166     -1.224263
  H      -2.618836     -0.037588     -0.225383
  H      -4.756823     -0.062495      1.085855
  H      -4.922955     -1.800166      0.794287
  H      -3.917950     -1.315665      3.040908
  H      -2.572345     -0.488571      2.252537
  H     -10.350693     -5.558623      7.323650
  H     -10.567312     -4.913321      5.678427
  H     -11.177727     -6.530433      6.063786
  H      -8.997595     -7.340310      6.224345
  H      -7.950103     -5.266761      7.175735
  H      -7.028178     -6.244486      6.026736
  H      -7.002339     -3.713990      5.737808
  H      -8.686337     -3.781000      5.245326
  H      -8.573634     -6.286512      3.400203
  H      -9.293678     -4.742297      3.107811
  H      -9.009065     -5.685468      0.951887
  H      -7.366043     -6.228764      1.253834
  H      -7.906545     -3.924616     -0.146269
  H      -6.431685     -4.115898      0.810119
  H      -8.996480     -2.879344      1.929954
  H      -7.599670     -1.961722      1.364870
  H      -6.117172     -2.911590      2.946994
  H      -7.504072     -2.354490      3.867517
  H      -4.176994     -1.430781      9.350534
  H      -4.018636     -0.008295      8.305846
  H      -2.697168     -0.427432      9.441222
  H      -2.425574     -1.144266      7.001815
  H      -2.647006     -3.252474      9.016154
  H      -1.131310     -2.483095      8.552080
  H      -1.834805     -3.278916      6.096667
  H      -0.936792     -4.324057      7.187863
  H      -1.501887     -6.451927      7.426374
  H      -3.155779     -7.068527      7.340683
  H      -2.372166     -6.936938      9.666021
  H      -1.910455     -5.256694      9.481642
  H      -4.487282     -6.266830     10.345603
  H      -4.029795     -4.581284     10.118666
  H      -5.987664     -5.055460      8.704420
  H      -5.189069     -6.458501      8.001920
  H      -4.412114     -3.506303      7.653729
  H      -5.085860     -4.571097      6.444170
  N      -4.632345     -2.739569      4.715664
  N      -5.001975     -1.765517      5.209543
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.489266798868
  N      -3.541609     -3.756003      2.065998
  C      -3.436894     -4.836945      1.084901
  C      -2.825746     -6.083546      1.708116
  N      -3.592606     -6.416328      2.928570
  C      -4.873370     -7.100940      2.617193
  C      -5.913297     -6.677968      3.643705
  N      -5.953794     -5.211607      3.716751
  Mo     -4.145690     -4.418488      3.890387
  N      -3.081457     -5.288520      5.373185
  C      -2.064143     -6.179592      4.810622
  C      -2.774616     -7.175001      3.905953
  H      -1.509345     -6.732021      5.581225
  H      -1.299400     -5.625899      4.229365
  H      -3.454241     -7.784352      4.516813
  H      -2.078055     -7.849326      3.375851
  H      -6.884733     -7.110187      3.367713
  H      -5.649514     -7.116694      4.626688
  H      -5.203974     -6.772853      1.623301
  H      -4.727090     -8.195431      2.588645
  H      -2.845974     -4.562142      0.203562
  H      -4.447220     -5.076886      0.703936
  H      -1.791634     -5.865422      2.013409
  H      -2.808999     -6.946346      1.014657
  C       1.281708     -1.583789      2.700395
  N       0.019356     -0.898320      2.950034
  C      -0.871544     -1.637149      3.846663
  C      -1.579533     -2.840873      3.216464
  C      -2.553474     -2.622225      2.019326
  C      -1.739521     -2.542545      0.707111
  C      -2.548534     -2.162283     -0.540247
  C      -3.345811     -0.876583     -0.324898
  C      -4.198096     -0.990531      0.937235
  C      -3.321183     -1.286872      2.150764
  C     -10.347987     -5.835055      6.234075
  N      -9.080738     -6.414252      5.804479
  C      -7.918543     -5.575265      6.119955
  C      -7.761521     -4.341526      5.228730
  C      -7.301563     -4.538982      3.760014
  C      -8.364743     -5.319243      2.956169
  C      -8.059335     -5.449745      1.458589
  C      -7.517517     -4.136034      0.858027
  C      -7.897671     -2.962209      1.756702
  C      -7.188730     -3.120991      3.103406
  C      -3.406168     -0.861588      8.768884
  N      -2.911927     -1.716065      7.705998
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  C      -1.905444     -3.858266      7.028419
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  C      -2.571405     -6.217134      7.652950
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  C      -4.075764     -5.529552      9.615573
  C      -5.009884     -5.410949      8.413011
  C      -4.411049     -4.536106      7.309772
  H       1.818997     -1.880262      3.626522
  H       1.942198     -0.938422      2.105486
  H       1.101508     -2.498021      2.116043
  H       0.208786      0.013371      3.368092
  H      -0.322504     -2.016078      4.738794
  H      -1.630748     -0.936402      4.223414
  H      -0.852489     -3.621039      2.936449
  H      -2.174822     -3.271728      4.055741
  H      -1.179991     -3.479365      0.546878
  H      -0.977716     -1.766630      0.884276
  H      -1.867937     -2.057665     -1.400521
  H      -3.256734     -2.964308     -0.801751
  H      -3.967765     -0.658935     -1.207546
  H      -2.647148     -0.028387     -0.211743
  H      -4.770306     -0.064514      1.103717
  H      -4.937054     -1.802817      0.821236
  H      -3.922073     -1.293242      3.062955
  H      -2.582466     -0.475634      2.259046
  H     -10.359080     -5.532619      7.303784
  H     -10.579107     -4.940035      5.638600
  H     -11.158727     -6.557775      6.068443
  H      -8.968099     -7.320872      6.259456
  H      -7.958232     -5.220865      7.174363
  H      -7.017574     -6.200289      6.041911
  H      -7.025644     -3.676467      5.711463
  H      -8.706897     -3.772718      5.220769
  H      -8.584794     -6.291118      3.413020
  H      -9.301128     -4.752190      3.081496
  H      -8.990523     -5.740636      0.946317
  H      -7.349404     -6.271751      1.279114
  H      -7.882369     -3.998163     -0.171116
  H      -6.416194     -4.165797      0.803161
  H      -8.993902     -2.912572      1.872413
  H      -7.590990     -2.005493      1.306061
  H      -6.125518     -2.920922      2.923702
  H      -7.525379     -2.353496      3.815528
  H      -4.118556     -1.436964      9.383321
  H      -3.957625     -0.016859      8.333444
  H      -2.623099     -0.455821      9.445432
  H      -2.421800     -1.174313      6.992614
  H      -2.603590     -3.279730      9.018036
  H      -1.093628     -2.514303      8.529272
  H      -1.835110     -3.296128      6.086744
  H      -0.929357     -4.355012      7.157272
  H      -1.530935     -6.490936      7.426470
  H      -3.198155     -7.071227      7.348949
  H      -2.408969     -6.951440      9.671033
  H      -1.904646     -5.284640      9.480565
  H      -4.501532     -6.220265     10.358993
  H      -4.003649     -4.549159     10.114333
  H      -5.983585     -4.996679      8.715410
  H      -5.217173     -6.420208      8.021476
  H      -4.387940     -3.487341      7.634377
  H      -5.083037     -4.557018      6.441919
  N      -4.640748     -2.748308      4.737293
  N      -4.980566     -1.766895      5.235020
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.490863711408
  N      -3.513725     -3.763076      2.081239
  C      -3.419678     -4.837607      1.092625
  C      -2.827053     -6.094381      1.713685
  N      -3.603006     -6.427607      2.927457
  C      -4.884324     -7.104616      2.609786
  C      -5.932219     -6.674429      3.625172
  N      -5.966412     -5.208191      3.696269
  Mo     -4.155361     -4.425653      3.889155
  N      -3.095421     -5.292699      5.375634
  C      -2.080098     -6.189529      4.818316
  C      -2.792581     -7.184004      3.911994
  H      -1.533703     -6.745965      5.592262
  H      -1.308309     -5.642570      4.239742
  H      -3.476348     -7.787875      4.523973
  H      -2.094477     -7.863641      3.390372
  H      -6.902599     -7.103810      3.340319
  H      -5.678699     -7.115869      4.609998
  H      -5.205642     -6.780549      1.611136
  H      -4.747330     -8.200580      2.588986
  H      -2.819081     -4.567849      0.216205
  H      -4.430767     -5.066576      0.705915
  H      -1.791762     -5.887853      2.023182
  H      -2.815382     -6.950826      1.011905
  C       1.299097     -1.568628      2.691557
  N       0.037723     -0.877054      2.933057
  C      -0.856155     -1.603891      3.835564
  C      -1.563228     -2.819053      3.224769
  C      -2.538363     -2.621131      2.026682
  C      -1.721542     -2.542189      0.715147
  C      -2.525279     -2.168735     -0.537999
  C      -3.333871     -0.887977     -0.330533
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  C     -10.314007     -5.910775      6.223989
  N      -9.036071     -6.462869      5.789309
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  C      -7.215541     -3.113120      3.111659
  C      -3.342842     -0.844412      8.787687
  N      -2.883796     -1.713913      7.720696
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  C      -1.908970     -3.865405      7.026757
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  C      -2.608299     -6.214888      7.658900
  C      -2.713021     -6.007017      9.175603
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  C      -5.036966     -5.371022      8.409479
  C      -4.424326     -4.511172      7.301688
  H       1.828847     -1.864620      3.622338
  H       1.965078     -0.925355      2.100477
  H       1.119543     -2.483473      2.107963
  H       0.231718      0.037301      3.343083
  H      -0.309294     -1.967273      4.735881
  H      -1.618542     -0.898599      4.197685
  H      -0.832044     -3.598508      2.950474
  H      -2.145265     -3.244140      4.072427
  H      -1.155738     -3.476141      0.559224
  H      -0.965930     -1.760499      0.893481
  H      -1.838266     -2.059787     -1.392723
  H      -3.226483     -2.974851     -0.806073
  H      -3.954031     -0.679781     -1.216798
  H      -2.643908     -0.032691     -0.217144
  H      -4.762692     -0.076673      1.092317
  H      -4.927921     -1.815588      0.814018
  H      -3.916191     -1.285447      3.060037
  H      -2.577455     -0.474678      2.245903
  H     -10.326486     -5.608707      7.293855
  H     -10.566366     -5.021390      5.628519
  H     -11.108431     -6.652174      6.061869
  H      -8.904299     -7.369678      6.238643
  H      -7.928869     -5.265080      7.168464
  H      -6.976593     -6.210642      6.014533
  H      -7.030129     -3.688395      5.715888
  H      -8.714907     -3.803746      5.238876
  H      -8.594376     -6.291616      3.416951
  H      -9.320114     -4.751667      3.096772
  H      -9.026226     -5.730424      0.954078
  H      -7.379319     -6.255710      1.269957
  H      -7.936059     -3.977907     -0.163224
  H      -6.459307     -4.146840      0.795179
  H      -9.028844     -2.902754      1.893735
  H      -7.630980     -1.991353      1.320692
  H      -6.154176     -2.902455      2.932137
  H      -7.558492     -2.352928      3.829108
  H      -4.061008     -1.399399      9.413867
  H      -3.875720      0.014108      8.356403
  H      -2.538804     -0.458905      9.451680
  H      -2.404332     -1.185670      6.990413
  H      -2.581701     -3.284445      9.026276
  H      -1.068271     -2.533681      8.522789
  H      -1.840073     -3.296472      6.088790
  H      -0.937065     -4.373532      7.143579
  H      -1.572029     -6.507124      7.436023
  H      -3.249117     -7.057585      7.351339
  H      -2.472610     -6.957668      9.675311
  H      -1.930697     -5.301309      9.492671
  H      -4.548938     -6.178468     10.360346
  H      -4.018217     -4.518412     10.109652
  H      -6.005097     -4.941470      8.708700
  H      -5.258566     -6.378799      8.021611
  H      -4.390234     -3.459298      7.616729
  H      -5.092944     -4.533917      6.430990
  N      -4.652157     -2.746191      4.738606
  N      -4.968634     -1.759124      5.235449
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.492665922483
  N      -3.490023     -3.769368      2.090185
  C      -3.405095     -4.839207      1.097130
  C      -2.827632     -6.103139      1.717885
  N      -3.610881     -6.435392      2.926110
  C      -4.892110     -7.106597      2.604836
  C      -5.945828     -6.668747      3.610478
  N      -5.975393     -5.203341      3.675544
  Mo     -4.162136     -4.431035      3.883642
  N      -3.108120     -5.292396      5.375837
  C      -2.093484     -6.192249      4.823845
  C      -2.806589     -7.187617      3.917515
  H      -1.553483     -6.751030      5.600819
  H      -1.316569     -5.650452      4.247023
  H      -3.493246     -7.786426      4.531523
  H      -2.106492     -7.871931      3.404361
  H      -6.915172     -7.097406      3.320078
  H      -5.699587     -7.109538      4.597787
  H      -5.206383     -6.787877      1.601868
  H      -4.763015     -8.203737      2.592608
  H      -2.796578     -4.575118      0.224300
  H      -4.416765     -5.060009      0.706320
  H      -1.791470     -5.905359      2.030351
  H      -2.819684     -6.954850      1.009928
  C       1.314498     -1.561500      2.685154
  N       0.054346     -0.863719      2.918936
  C      -0.843798     -1.580078      3.824737
  C      -1.550839     -2.803467      3.228846
  C      -2.525864     -2.621568      2.029952
  C      -1.705966     -2.541520      0.719554
  C      -2.504584     -2.171639     -0.538254
  C      -3.322756     -0.895294     -0.335779
  C      -4.182636     -1.013847      0.921545
  C      -3.307591     -1.293520      2.141878
  C     -10.269098     -5.982987      6.222974
  N      -8.981381     -6.506580      5.780915
  C      -7.850660     -5.627190      6.100508
  C      -7.753977     -4.370145      5.234626
  C      -7.320692     -4.536053      3.754067
  C      -8.398629     -5.315586      2.969020
  C      -8.123175     -5.431145      1.463068
  C      -7.603262     -4.108129      0.863132
  C      -7.969319     -2.941903      1.779667
  C      -7.239201     -3.106071      3.115623
  C      -3.279545     -0.830787      8.817126
  N      -2.856435     -1.711238      7.743642
  C      -2.058169     -2.850971      8.165909
  C      -1.914459     -3.870236      7.027218
  C      -3.025085     -4.958603      6.827354
  C      -2.648970     -6.210103      7.662401
  C      -2.762115     -6.004389      9.178736
  C      -4.150321     -5.471105      9.607439
  C      -5.070845     -5.331680      8.395979
  C      -4.440923     -4.484679      7.287601
  H       1.836444     -1.858231      3.620271
  H       1.986318     -0.920019      2.098672
  H       1.135264     -2.476251      2.101262
  H       0.252765      0.052323      3.323008
  H      -0.300015     -1.931361      4.732060
  H      -1.608534     -0.870590      4.174043
  H      -0.816416     -3.582441      2.958964
  H      -2.122647     -3.223610      4.082049
  H      -1.135071     -3.472947      0.565924
  H      -0.955698     -1.755270      0.900502
  H      -1.811616     -2.057590     -1.387608
  H      -3.199846     -2.980603     -0.813605
  H      -3.940980     -0.693770     -1.225036
  H      -2.640312     -0.034204     -0.220452
  H      -4.755848     -0.086936      1.082978
  H      -4.919810     -1.826070      0.805177
  H      -3.912423     -1.282240      3.056390
  H      -2.573619     -0.475728      2.235398
  H     -10.281058     -5.680136      7.292718
  H     -10.544957     -5.100623      5.627274
  H     -11.046262     -6.743745      6.066793
  H      -8.827789     -7.412035      6.225957
  H      -7.888540     -5.299173      7.163583
  H      -6.926518     -6.212888      5.989635
  H      -7.028749     -3.694372      5.716253
  H      -8.717243     -3.832271      5.255378
  H      -8.597857     -6.293686      3.424440
  H      -9.335447     -4.754266      3.114880
  H      -9.061341     -5.726097      0.965949
  H      -7.407744     -6.243520      1.262482
  H      -7.993267     -3.964306     -0.156113
  H      -6.503870     -4.131424      0.783408
  H      -9.063590     -2.896994      1.914801
  H      -7.672792     -1.981218      1.330333
  H      -6.180077     -2.886173      2.932843
  H      -7.586039     -2.351709      3.837808
  H      -4.001902     -1.367569      9.454127
  H      -3.794623      0.041712      8.392529
  H      -2.455125     -0.467214      9.468706
  H      -2.386373     -1.193783      6.999828
  H      -2.562440     -3.293219      9.037799
  H      -1.045169     -2.556331      8.522840
  H      -1.845590     -3.292279      6.094532
  H      -0.947367     -4.390435      7.131729
  H      -1.616128     -6.519334      7.446367
  H      -3.301683     -7.041675      7.348527
  H      -2.545374     -6.961591      9.676979
  H      -1.968760     -5.315233      9.504966
  H      -4.608796     -6.139788     10.352010
  H      -4.047022     -4.490084     10.100116
  H      -6.034431     -4.887790      8.689252
  H      -5.304945     -6.337308      8.009285
  H      -4.397367     -3.430639      7.595629
  H      -5.102961     -4.507949      6.411612
  N      -4.663517     -2.743611      4.736330
  N      -4.961041     -1.753086      5.232720
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.492827743614
  N      -3.479373     -3.779444      2.104061
  C      -3.409592     -4.847498      1.109491
  C      -2.837153     -6.114434      1.728143
  N      -3.616757     -6.444046      2.938731
  C      -4.900222     -7.111338      2.624605
  C      -5.952847     -6.665838      3.627715
  N      -5.976887     -5.201171      3.686800
  Mo     -4.159401     -4.438640      3.892785
  N      -3.099672     -5.291949      5.384173
  C      -2.087702     -6.191326      4.828206
  C      -2.808056     -7.190415      3.930209
  H      -1.544340     -6.750378      5.602795
  H      -1.313541     -5.652195      4.245095
  H      -3.490835     -7.784736      4.553091
  H      -2.109932     -7.878411      3.419049
  H      -6.922890     -7.093840      3.338031
  H      -5.707885     -7.105359      4.616179
  H      -5.215101     -6.798300      1.619751
  H      -4.777669     -8.209363      2.619898
  H      -2.802722     -4.589309      0.233497
  H      -4.424757     -5.064238      0.724951
  H      -1.798368     -5.920901      2.034685
  H      -2.836126     -6.963972      1.017239
  C       1.324346     -1.563962      2.643124
  N       0.066710     -0.862197      2.882054
  C      -0.825408     -1.570076      3.800050
  C      -1.538502     -2.799057      3.222091
  C      -2.523070     -2.629578      2.030996
  C      -1.712664     -2.550749      0.714338
  C      -2.519451     -2.185764     -0.539943
  C      -3.342223     -0.911773     -0.335108
  C      -4.193531     -1.030941      0.928569
  C      -3.307740     -1.303719      2.143419
  C     -10.304266     -5.984646      6.163991
  N      -9.014733     -6.513009      5.732057
  C      -7.880701     -5.648485      6.081202
  C      -7.765148     -4.377740      5.238171
  C      -7.318480     -4.529515      3.760122
  C      -8.395598     -5.297559      2.962250
  C      -8.109605     -5.403938      1.456889
  C      -7.578432     -4.079071      0.870468
  C      -7.944556     -2.916770      1.792924
  C      -7.227925     -3.093304      3.135205
  C      -3.311547     -0.836881      8.842203
  N      -2.886421     -1.709823      7.762912
  C      -2.066069     -2.837777      8.173780
  C      -1.917418     -3.850307      7.028984
  C      -3.013988     -4.952918      6.833527
  C      -2.620697     -6.199036      7.668751
  C      -2.728929     -5.996726      9.185920
  C      -4.120210     -5.476106      9.620141
  C      -5.047606     -5.350158      8.412218
  C      -4.435323     -4.497108      7.298164
  H       1.850589     -1.857305      3.577058
  H       1.993481     -0.924915      2.050851
  H       1.140352     -2.480903      2.064093
  H       0.271460      0.056133      3.277656
  H      -0.274581     -1.912644      4.706704
  H      -1.588110     -0.857313      4.147604
  H      -0.804236     -3.578167      2.949743
  H      -2.097336     -3.214013      4.083287
  H      -1.139329     -3.480465      0.558608
  H      -0.965248     -1.760287      0.889208
  H      -1.830066     -2.069714     -1.392034
  H      -3.213462     -2.996960     -0.812437
  H      -3.967134     -0.715955     -1.221041
  H      -2.663823     -0.046716     -0.225397
  H      -4.765979     -0.103808      1.092901
  H      -4.930474     -1.843816      0.819273
  H      -3.905940     -1.286632      3.064543
  H      -2.574602     -0.483717      2.224391
  H     -10.327412     -5.695649      7.237475
  H     -10.564916     -5.092700      5.575550
  H     -11.084376     -6.738079      5.987905
  H      -8.875145     -7.426767      6.164420
  H      -7.928472     -5.339040      7.149511
  H      -6.959493     -6.238774      5.967889
  H      -7.040456     -3.715488      5.738702
  H      -8.725471     -3.834383      5.255486
  H      -8.601635     -6.278146      3.410258
  H      -9.330184     -4.731382      3.103390
  H      -9.045326     -5.690725      0.950385
  H      -7.395749     -6.217594      1.255819
  H      -7.961052     -3.925763     -0.150276
  H      -6.478906     -4.108114      0.798418
  H      -9.039685     -2.866805      1.919402
  H      -7.638520     -1.954940      1.352300
  H      -6.165727     -2.874575      2.968220
  H      -7.583759     -2.343861      3.858488
  H      -4.023093     -1.383483      9.483026
  H      -3.837700      0.031662      8.423226
  H      -2.484977     -0.467279      9.487938
  H      -2.434978     -1.185243      7.012852
  H      -2.554111     -3.291242      9.048893
  H      -1.054566     -2.526189      8.520906
  H      -1.865005     -3.265161      6.099490
  H      -0.942280     -4.357801      7.121820
  H      -1.586097     -6.498741      7.447642
  H      -3.267668     -7.036089      7.356556
  H      -2.502894     -6.953488      9.681071
  H      -1.940100     -5.301474      9.510563
  H      -4.569049     -6.148196     10.367723
  H      -4.024938     -4.493087     10.110728
  H      -6.016020     -4.919355      8.709577
  H      -5.268533     -6.359713      8.028188
  H      -4.405759     -3.441021      7.601926
  H      -5.099718     -4.535653      6.424117
  N      -4.661188     -2.745206      4.753035
  N      -4.942581     -1.753403      5.251569
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.493241073183
  N      -3.475749     -3.781779      2.100679
  C      -3.409136     -4.853087      1.109818
  C      -2.835064     -6.117023      1.733187
  N      -3.612234     -6.440872      2.947075
  C      -4.895477     -7.110391      2.637734
  C      -5.948000     -6.660304      3.638607
  N      -5.971947     -5.195372      3.690727
  Mo     -4.153233     -4.432784      3.893306
  N      -3.090690     -5.277914      5.387666
  C      -2.079046     -6.178965      4.833351
  C      -2.801010     -7.181974      3.940651
  H      -1.535051     -6.736451      5.608640
  H      -1.305393     -5.642238      4.247430
  H      -3.482201     -7.773179      4.568237
  H      -2.103419     -7.872447      3.432088
  H      -6.917707     -7.090472      3.350581
  H      -5.702771     -7.095646      4.628842
  H      -5.211118     -6.803281      1.631274
  H      -4.773038     -8.208466      2.639438
  H      -2.803876     -4.599015      0.231413
  H      -4.425135     -5.072259      0.728834
  H      -1.795560     -5.921856      2.036096
  H      -2.835719     -6.969322      1.025561
  C       1.327279     -1.568890      2.602617
  N       0.072224     -0.861682      2.839842
  C      -0.817945     -1.558392      3.768527
  C      -1.535206     -2.791306      3.204218
  C      -2.525321     -2.630100      2.017410
  C      -1.721628     -2.553993      0.696635
  C      -2.535910     -2.197535     -0.555374
  C      -3.364588     -0.926815     -0.351801
  C      -4.208724     -1.044845      0.917030
  C      -3.314295     -1.306784      2.128035
  C     -10.312752     -5.977718      6.145992
  N      -9.020672     -6.507412      5.723171
  C      -7.888547     -5.642066      6.077604
  C      -7.769396     -4.372157      5.233016
  C      -7.314054     -4.524880      3.757156
  C      -8.386574     -5.294738      2.954556
  C      -8.092010     -5.403266      1.450869
  C      -7.560079     -4.078249      0.865206
  C      -7.932687     -2.915424      1.784421
  C      -7.223569     -3.088760      3.131249
  C      -3.300540     -0.868899      8.945884
  N      -2.894949     -1.720215      7.841883
  C      -2.060575     -2.851113      8.214609
  C      -1.920451     -3.836982      7.045242
  C      -3.012879     -4.941501      6.838055
  C      -2.620097     -6.189350      7.670999
  C      -2.738200     -5.994411      9.188433
  C      -4.133267     -5.478569      9.616406
  C      -5.054226     -5.351899      8.403617
  C      -4.439038     -4.492698      7.295864
  H       1.855836     -1.855109      3.537449
  H       1.995802     -0.936472      2.002619
  H       1.139055     -2.490465      2.032423
  H       0.281257      0.060345      3.224378
  H      -0.264272     -1.893473      4.676215
  H      -1.578109     -0.840817      4.111725
  H      -0.801507     -3.571114      2.931948
  H      -2.089524     -3.202409      4.069975
  H      -1.145667     -3.482214      0.541882
  H      -0.976894     -1.759490      0.864670
  H      -1.850416     -2.080949     -1.410512
  H      -3.227116     -3.012983     -0.822309
  H      -3.995442     -0.738978     -1.235225
  H      -2.690647     -0.057434     -0.249473
  H      -4.784683     -0.119720      1.080540
  H      -4.941909     -1.862133      0.815521
  H      -3.907036     -1.287028      3.052951
  H      -2.584080     -0.483310      2.199096
  H     -10.342045     -5.685455      7.218427
  H     -10.569965     -5.087727      5.553137
  H     -11.091552     -6.731996      5.967799
  H      -8.884461     -7.420575      6.157723
  H      -7.942728     -5.330978      7.145191
  H      -6.966320     -6.231713      5.970011
  H      -7.048290     -3.708970      5.737179
  H      -8.730582     -3.830209      5.243912
  H      -8.593523     -6.274903      3.402834
  H      -9.322182     -4.728796      3.089262
  H      -9.024414     -5.692571      0.939730
  H      -7.375296     -6.215745      1.255276
  H      -7.938360     -3.926685     -0.157398
  H      -6.460191     -4.105385      0.798509
  H      -9.028544     -2.866900      1.904973
  H      -7.625374     -1.953919      1.343991
  H      -6.161035     -2.867518      2.971070
  H      -7.587089     -2.339738      3.851116
  H      -3.996811     -1.429638      9.591117
  H      -3.837380      0.005623      8.553835
  H      -2.461626     -0.508738      9.580945
  H      -2.461310     -1.179725      7.092972
  H      -2.531946     -3.327774      9.086465
  H      -1.046511     -2.539101      8.553725
  H      -1.880280     -3.231531      6.128168
  H      -0.942155     -4.341748      7.117083
  H      -1.583241     -6.484803      7.454856
  H      -3.262591     -7.027001      7.351158
  H      -2.513811     -6.953413      9.679972
  H      -1.952755     -5.299362      9.521549
  H      -4.584591     -6.154034     10.359435
  H      -4.043547     -4.496693     10.110268
  H      -6.025920     -4.925725      8.697163
  H      -5.268647     -6.360954      8.015038
  H      -4.415820     -3.437454      7.603079
  H      -5.097509     -4.532721      6.417139
  N      -4.658640     -2.736934      4.753505
  N      -4.939338     -1.744928      5.251160
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.493755923473
  N      -3.469235     -3.785628      2.101433
  C      -3.404330     -4.858496      1.112703
  C      -2.832015     -6.121011      1.740402
  N      -3.610761     -6.439681      2.954746
  C      -4.893417     -7.109405      2.645060
  C      -5.947992     -6.654089      3.640685
  N      -5.970041     -5.189047      3.687444
  Mo     -4.149769     -4.429505      3.894796
  N      -3.089660     -5.269213      5.393295
  C      -2.078345     -6.172718      4.841907
  C      -2.801054     -7.177932      3.952006
  H      -1.535541     -6.729596      5.618544
  H      -1.303732     -5.638744      4.254907
  H      -3.483301     -7.765382      4.582021
  H      -2.103798     -7.871565      3.447226
  H      -6.917253     -7.084630      3.351142
  H      -5.706017     -7.086654      4.632882
  H      -5.205997     -6.807127      1.636168
  H      -4.772491     -8.207657      2.652804
  H      -2.797681     -4.607797      0.234273
  H      -4.420254     -5.078220      0.731729
  H      -1.792377     -5.926228      2.042955
  H      -2.833664     -6.975054      1.034833
  C       1.334776     -1.586392      2.575596
  N       0.084299     -0.869242      2.807985
  C      -0.808486     -1.551104      3.745499
  C      -1.531808     -2.786422      3.193930
  C      -2.525697     -2.631394      2.010441
  C      -1.727237     -2.555664      0.686475
  C      -2.547466     -2.205650     -0.563698
  C      -3.383910     -0.939699     -0.360203
  C      -4.221884     -1.059361      0.912772
  C      -3.319570     -1.311062      2.120170
  C     -10.309497     -6.001888      6.128004
  N      -9.012438     -6.522814      5.709216
  C      -7.886984     -5.651209      6.069547
  C      -7.772942     -4.377502      5.229150
  C      -7.312595     -4.520652      3.753424
  C      -8.380933     -5.288517      2.943072
  C      -8.080214     -5.388813      1.439964
  C      -7.550854     -4.058883      0.862702
  C      -7.929555     -2.902082      1.787005
  C      -7.225697     -3.080357      3.136068
  C      -3.273013     -0.873547      9.014433
  N      -2.906612     -1.721469      7.893920
  C      -2.056709     -2.851116      8.234481
  C      -1.930962     -3.821851      7.050056
  C      -3.018109     -4.930966      6.843220
  C      -2.623907     -6.178967      7.676203
  C      -2.751238     -5.992456      9.193973
  C      -4.148040     -5.476450      9.616728
  C      -5.065013     -5.348394      8.400868
  C      -4.447603     -4.486434      7.296407
  H       1.861852     -1.868307      3.512595
  H       2.006839     -0.962630      1.970490
  H       1.140669     -2.511334      2.012875
  H       0.300195      0.055870      3.181115
  H      -0.255394     -1.879370      4.655998
  H      -1.564875     -0.826167      4.081416
  H      -0.799668     -3.568000      2.922028
  H      -2.082887     -3.193915      4.062971
  H      -1.148349     -3.482054      0.531750
  H      -0.985422     -1.757468      0.849950
  H      -1.864633     -2.085863     -1.420544
  H      -3.234491     -3.025459     -0.828233
  H      -4.020048     -0.759474     -1.241438
  H      -2.715782     -0.065245     -0.263362
  H      -4.802457     -0.137076      1.076274
  H      -4.950284     -1.881715      0.817439
  H      -3.907116     -1.289425      3.048551
  H      -2.592705     -0.483918      2.182351
  H     -10.343920     -5.709424      7.200241
  H     -10.571345     -5.114108      5.533860
  H     -11.082222     -6.761992      5.948010
  H      -8.872449     -7.436030      6.142427
  H      -7.946709     -5.343683      7.137921
  H      -6.960690     -6.234473      5.962896
  H      -7.056586     -3.713290      5.738025
  H      -8.737113     -3.840892      5.239551
  H      -8.586701     -6.271501      3.385480
  H      -9.318037     -4.724899      3.076715
  H      -9.009669     -5.678918      0.923910
  H      -7.359700     -6.197723      1.243315
  H      -7.927298     -3.902885     -0.159927
  H      -6.450696     -4.081763      0.798644
  H      -9.025995     -2.856654      1.903651
  H      -7.622530     -1.937706      1.352666
  H      -6.163647     -2.853239      2.982839
  H      -7.597421     -2.337522      3.858145
  H      -3.945934     -1.435493      9.682702
  H      -3.822063      0.002844      8.644100
  H      -2.411603     -0.516151      9.620339
  H      -2.499913     -1.177657      7.132716
  H      -2.505351     -3.341168      9.110644
  H      -1.038201     -2.534472      8.555586
  H      -1.908361     -3.203860      6.140244
  H      -0.948797     -4.321783      7.099886
  H      -1.584932     -6.470130      7.464300
  H      -3.261548     -7.017799      7.349688
  H      -2.532076     -6.955103      9.680802
  H      -1.966405     -5.301589      9.536434
  H      -4.602485     -6.152463     10.357385
  H      -4.060000     -4.495038     10.111925
  H      -6.038085     -4.923771      8.692294
  H      -5.277200     -6.357068      8.009891
  H      -4.427793     -3.431432      7.605127
  H      -5.102357     -4.528705      6.414856
  N      -4.657611     -2.731779      4.754876
  N      -4.936360     -1.739329      5.252083
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.494490877676
  N      -3.465541     -3.786008      2.103076
  C      -3.400136     -4.858193      1.114149
  C      -2.829593     -6.120605      1.743406
  N      -3.610932     -6.438142      2.956181
  C      -4.891999     -7.108773      2.643463
  C      -5.950017     -6.651078      3.633644
  N      -5.971846     -5.185997      3.676354
  Mo     -4.152043     -4.427800      3.894040
  N      -3.095991     -5.265143      5.395729
  C      -2.083243     -6.169070      4.847450
  C      -2.803643     -7.175093      3.956500
  H      -1.542532     -6.725826      5.625667
  H      -1.307069     -5.635702      4.262039
  H      -3.487517     -7.761449      4.585821
  H      -2.105067     -7.869612      3.454726
  H      -6.917994     -7.082479      3.341244
  H      -5.711783     -7.081716      4.627515
  H      -5.200758     -6.809718      1.632410
  H      -4.771242     -8.207014      2.655110
  H      -2.791109     -4.608089      0.237248
  H      -4.415379     -5.077735      0.731056
  H      -1.790318     -5.926340      2.047486
  H      -2.830664     -6.974669      1.037838
  C       1.336806     -1.592291      2.572287
  N       0.088888     -0.868255      2.797379
  C      -0.809272     -1.540349      3.736818
  C      -1.533795     -2.777961      3.191584
  C      -2.527968     -2.628261      2.008417
  C      -1.730325     -2.551969      0.683794
  C      -2.551558     -2.205738     -0.566931
  C      -3.394428     -0.943677     -0.364975
  C      -4.230922     -1.065068      0.908858
  C      -3.326035     -1.310271      2.115786
  C     -10.285370     -6.027533      6.125496
  N      -8.978976     -6.532530      5.716144
  C      -7.868306     -5.640326      6.070875
  C      -7.771783     -4.371866      5.220484
  C      -7.314427     -4.519070      3.744293
  C      -8.384268     -5.289559      2.938225
  C      -8.084300     -5.395886      1.435458
  C      -7.554882     -4.068250      0.852784
  C      -7.932263     -2.907367      1.772691
  C      -7.229703     -3.080616      3.123182
  C      -3.212318     -0.869810      9.067244
  N      -2.897393     -1.724044      7.935699
  C      -2.046186     -2.860603      8.249099
  C      -1.941207     -3.819224      7.052337
  C      -3.030089     -4.925794      6.845537
  C      -2.642883     -6.176426      7.678377
  C      -2.779890     -5.998574      9.196343
  C      -4.175064     -5.473239      9.612859
  C      -5.086360     -5.337571      8.393472
  C      -4.459996     -4.476529      7.293390
  H       1.858457     -1.873884      3.512449
  H       2.014410     -0.973371      1.968372
  H       1.140802     -2.518003      2.011464
  H       0.308405      0.058313      3.164649
  H      -0.260370     -1.863160      4.651806
  H      -1.564857     -0.810678      4.064155
  H      -0.801332     -3.560025      2.921509
  H      -2.083430     -3.183889      4.061568
  H      -1.148949     -3.476933      0.529893
  H      -0.990755     -1.751519      0.846229
  H      -1.868380     -2.082712     -1.423069
  H      -3.234500     -3.028683     -0.832487
  H      -4.032189     -0.768767     -1.246132
  H      -2.731055     -0.065388     -0.270208
  H      -4.814951     -0.144760      1.071403
  H      -4.955943     -1.890570      0.815806
  H      -3.911894     -1.287026      3.045256
  H      -2.601662     -0.480574      2.173660
  H     -10.326804     -5.721446      7.193690
  H     -10.560708     -5.152284      5.518956
  H     -11.044906     -6.802837      5.954328
  H      -8.825786     -7.438614      6.159765
  H      -7.934312     -5.325007      7.136593
  H      -6.933141     -6.210122      5.970347
  H      -7.060869     -3.697075      5.722367
  H      -8.741590     -3.845459      5.230385
  H      -8.589951     -6.270779      3.384634
  H      -9.320819     -4.724581      3.070110
  H      -9.013912     -5.688045      0.920823
  H      -7.363826     -6.205598      1.241890
  H      -7.932375     -3.916004     -0.170040
  H      -6.454784     -4.091810      0.787654
  H      -9.028704     -2.859855      1.888568
  H      -7.623633     -1.945198      1.334571
  H      -6.167659     -2.852071      2.971405
  H      -7.604484     -2.336674      3.842578
  H      -3.866031     -1.421658      9.762057
  H      -3.763268      0.012978      8.715420
  H      -2.324355     -0.522282      9.639774
  H      -2.512130     -1.185272      7.159917
  H      -2.479857     -3.357508      9.128861
  H      -1.021048     -2.549375      8.554373
  H      -1.930479     -3.190620      6.149233
  H      -0.958988     -4.320748      7.082063
  H      -1.603354     -6.469395      7.471617
  H      -3.280257     -7.012431      7.344034
  H      -2.572992     -6.966612      9.677924
  H      -1.991400     -5.317611      9.549692
  H      -4.637523     -6.146549     10.351045
  H      -4.082244     -4.492799     10.109256
  H      -6.057934     -4.907750      8.682296
  H      -5.303722     -6.344161      7.999374
  H      -4.436467     -3.422184      7.604541
  H      -5.110925     -4.515176      6.408818
  N      -4.662714     -2.729804      4.753232
  N      -4.940150     -1.736982      5.250208
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.495157044073
  N      -3.465839     -3.785219      2.103668
  C      -3.396687     -4.855495      1.113060
  C      -2.830379     -6.119474      1.743371
  N      -3.617840     -6.438161      2.951961
  C      -4.897268     -7.108170      2.631726
  C      -5.960257     -6.650555      3.616197
  N      -5.981127     -5.185423      3.658924
  Mo     -4.162164     -4.428664      3.890157
  N      -3.113616     -5.267515      5.396079
  C      -2.099766     -6.172738      4.851313
  C      -2.816594     -7.176982      3.955770
  H      -1.563051     -6.730800      5.631375
  H      -1.320343     -5.639786      4.269862
  H      -3.504353     -7.763027      4.581168
  H      -2.116223     -7.871930      3.457111
  H      -6.926844     -7.081287      3.318367
  H      -5.727744     -7.082009      4.611101
  H      -5.200396     -6.808974      1.618985
  H      -4.777056     -8.206447      2.643942
  H      -2.782703     -4.604532      0.239867
  H      -4.410127     -5.073726      0.724376
  H      -1.792257     -5.926776      2.052360
  H      -2.829132     -6.972338      1.036353
  C       1.333780     -1.595477      2.601965
  N       0.086658     -0.867483      2.818686
  C      -0.820795     -1.537337      3.750494
  C      -1.542314     -2.774540      3.200431
  C      -2.530601     -2.625439      2.012803
  C      -1.726131     -2.547068      0.692322
  C      -2.540175     -2.198855     -0.562545
  C      -3.385539     -0.937925     -0.363513
  C      -4.228845     -1.061691      0.905580
  C      -3.330403     -1.308205      2.117183
  C     -10.247990     -6.084452      6.123560
  N      -8.928577     -6.560643      5.721485
  C      -7.841115     -5.638362      6.069147
  C      -7.773623     -4.373408      5.211459
  C      -7.323808     -4.520532      3.733369
  C      -8.397008     -5.293984      2.934736
  C      -8.104304     -5.403373      1.430807
  C      -7.577489     -4.076994      0.843005
  C      -7.950723     -2.913269      1.761293
  C      -7.244605     -3.082734      3.110521
  C      -3.125002     -0.849771      9.075274
  N      -2.863141     -1.721298      7.943115
  C      -2.023182     -2.869774      8.243451
  C      -1.944823     -3.827207      7.043759
  C      -3.045490     -4.922733      6.844726
  C      -2.671871     -6.174961      7.681507
  C      -2.808752     -5.995034      9.199231
  C      -4.196004     -5.447929      9.613822
  C      -5.106591     -5.304380      8.394774
  C      -4.469585     -4.454811      7.291986
  H       1.845755     -1.882788      3.545736
  H       2.019184     -0.976637      2.006838
  H       1.139472     -2.518192      2.035617
  H       0.306640      0.057734      3.188992
  H      -0.280588     -1.859907      4.670753
  H      -1.578084     -0.806031      4.070122
  H      -0.808119     -3.556128      2.933487
  H      -2.095762     -3.181369      4.066675
  H      -1.143933     -3.471781      0.540027
  H      -0.987363     -1.746979      0.860074
  H      -1.851665     -2.073210     -1.414031
  H      -3.220576     -3.021888     -0.834423
  H      -4.018801     -0.762979     -1.247909
  H      -2.723897     -0.058835     -0.264202
  H      -4.813868     -0.141703      1.066422
  H      -4.953127     -1.886997      0.807201
  H      -3.921095     -1.285751      3.043753
  H      -2.606734     -0.478194      2.179447
  H     -10.298293     -5.765867      7.187701
  H     -10.545195     -5.224516      5.505511
  H     -10.987002     -6.881342      5.961928
  H      -8.752365     -7.457437      6.175463
  H      -7.913870     -5.317831      7.132788
  H      -6.892660     -6.186293      5.971434
  H      -7.070337     -3.685225      5.705099
  H      -8.751824     -3.862814      5.225399
  H      -8.598852     -6.274596      3.384628
  H      -9.333395     -4.729403      3.069900
  H      -9.036099     -5.696883      0.920902
  H      -7.384403     -6.213231      1.235715
  H      -7.959429     -3.927213     -0.178537
  H      -6.477813     -4.101260      0.773133
  H      -9.046767     -2.864440      1.880314
  H      -7.642686     -1.952596      1.319469
  H      -6.183161     -2.851613      2.956933
  H      -7.620425     -2.339044      3.829680
  H      -3.765917     -1.380938      9.797200
  H      -3.668883      0.040741      8.732048
  H      -2.211922     -0.514982      9.615084
  H      -2.490075     -1.196960      7.151386
  H      -2.450510     -3.362010      9.129012
  H      -0.989871     -2.571366      8.534085
  H      -1.938967     -3.196104      6.142230
  H      -0.967325     -4.338562      7.059535
  H      -1.635409     -6.479506      7.476101
  H      -3.317784     -7.004593      7.347576
  H      -2.618245     -6.966579      9.680586
  H      -2.010078     -5.327120      9.554667
  H      -4.667569     -6.110911     10.355599
  H      -4.088493     -4.466515     10.105364
  H      -6.071576     -4.859986      8.683498
  H      -5.339429     -6.308952      8.003487
  H      -4.431971     -3.400155      7.601122
  H      -5.121502     -4.487556      6.408119
  N      -4.676423     -2.731642      4.749935
  N      -4.954085     -1.739305      5.247643
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.495729965220
  N      -3.466437     -3.782760      2.104184
  C      -3.396417     -4.849739      1.109987
  C      -2.833698     -6.116571      1.738182
  N      -3.625061     -6.438041      2.943758
  C      -4.903819     -7.107282      2.617742
  C      -5.970111     -6.650989      3.599135
  N      -5.990128     -5.185471      3.642947
  Mo     -4.171734     -4.430702      3.885138
  N      -3.129077     -5.272965      5.393081
  C      -2.113818     -6.177821      4.849459
  C      -2.827564     -7.179539      3.948866
  H      -1.580307     -6.738090      5.630180
  H      -1.331879     -5.643763      4.272446
  H      -3.518054     -7.766752      4.570170
  H      -2.125800     -7.873719      3.451155
  H      -6.935558     -7.080943      3.297232
  H      -5.741777     -7.084116      4.594295
  H      -5.203210     -6.806541      1.604306
  H      -4.783776     -8.205597      2.628683
  H      -2.779126     -4.596834      0.239673
  H      -4.409055     -5.065023      0.717473
  H      -1.796164     -5.926356      2.050706
  H      -2.831701     -6.967344      1.028693
  C       1.330989     -1.593581      2.635664
  N       0.083837     -0.864196      2.847483
  C      -0.831322     -1.536832      3.769562
  C      -1.548354     -2.772480      3.210673
  C      -2.531555     -2.621767      2.018976
  C      -1.720899     -2.541261      0.702553
  C      -2.528251     -2.188739     -0.555335
  C      -3.373484     -0.927491     -0.357481
  C      -4.223278     -1.053215      0.907103
  C      -3.331616     -1.304573      2.122657
  C     -10.196568     -6.118593      6.143108
  N      -8.863921     -6.567505      5.753532
  C      -7.802577     -5.608655      6.082151
  C      -7.769390     -4.357184      5.203328
  C      -7.331325     -4.518407      3.723266
  C      -8.413223     -5.294506      2.938921
  C      -8.130136     -5.420004      1.434427
  C      -7.597746     -4.102853      0.831217
  C      -7.959826     -2.927266      1.738948
  C      -7.251163     -3.086377      3.088225
  C      -3.081208     -0.836069      9.058409
  N      -2.848888     -1.723592      7.932225
  C      -2.018209     -2.878696      8.233767
  C      -1.951378     -3.838439      7.035766
  C      -3.059149     -4.926776      6.841587
  C      -2.693998     -6.181122      7.679190
  C      -2.830713     -6.002013      9.197039
  C      -4.212303     -5.440834      9.611288
  C      -5.122580     -5.290891      8.392892
  C      -4.479047     -4.447502      7.289152
  H       1.834324     -1.889496      3.581464
  H       2.022966     -0.971865      2.051207
  H       1.139391     -2.511414      2.060473
  H       0.302886      0.058328      3.225044
  H      -0.299141     -1.862159      4.693535
  H      -1.591096     -0.806231      4.084941
  H      -0.812246     -3.552823      2.945320
  H      -2.105888     -3.181625      4.072814
  H      -1.139428     -3.466519      0.550758
  H      -0.981490     -1.742866      0.875919
  H      -1.835099     -2.061326     -1.402806
  H      -3.207815     -3.010545     -0.833123
  H      -4.002384     -0.750276     -1.244551
  H      -2.711662     -0.049085     -0.253247
  H      -4.807625     -0.132738      1.067621
  H      -4.948579     -1.876796      0.802421
  H      -3.926820     -1.284323      3.046109
  H      -2.607720     -0.475193      2.191174
  H     -10.257047     -5.774978      7.198880
  H     -10.516786     -5.283020      5.503455
  H     -10.912999     -6.939525      6.001130
  H      -8.663083     -7.448098      6.228669
  H      -7.881670     -5.271661      7.140153
  H      -6.839679     -6.132186      5.992014
  H      -7.073543     -3.649210      5.679341
  H      -8.756320     -3.863599      5.219698
  H      -8.616611     -6.269628      3.399952
  H      -9.345906     -4.723625      3.074200
  H      -9.066508     -5.712467      0.932335
  H      -7.416274     -6.236134      1.243113
  H      -7.983332     -3.960859     -0.190075
  H      -6.498644     -4.135665      0.756505
  H      -9.055172     -2.870147      1.860877
  H      -7.647324     -1.973216      1.285980
  H      -6.189209     -2.858508      2.931337
  H      -7.624503     -2.336189      3.801938
  H      -3.717605     -1.350097      9.796410
  H      -3.617813      0.058384      8.713898
  H      -2.155054     -0.508483      9.580214
  H      -2.479063     -1.212624      7.129966
  H      -2.446856     -3.365094      9.122056
  H      -0.981385     -2.588065      8.520176
  H      -1.945957     -3.208202      6.133590
  H      -0.976879     -4.355666      7.046912
  H      -1.659528     -6.492601      7.474201
  H      -3.345148     -7.006338      7.344403
  H      -2.651369     -6.976609      9.676599
  H      -2.025188     -5.343698      9.555079
  H      -4.689455     -6.097286     10.355313
  H      -4.094888     -4.459144     10.100067
  H      -6.082905     -4.836946      8.682370
  H      -5.365953     -6.293329      8.002311
  H      -4.432432     -3.393103      7.598297
  H      -5.131862     -4.475262      6.405919
  N      -4.686048     -2.734911      4.744733
  N      -4.964007     -1.742816      5.242975
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.496206110520
  N      -3.469720     -3.780936      2.106534
  C      -3.396208     -4.844851      1.109149
  C      -2.837542     -6.114225      1.736618
  N      -3.634685     -6.438294      2.938188
  C      -4.912026     -7.107063      2.604273
  C      -5.982986     -6.652878      3.581352
  N      -6.002179     -5.187119      3.627268
  Mo     -4.184665     -4.433417      3.882018
  N      -3.148551     -5.278669      5.393300
  C      -2.132553     -6.184695      4.851484
  C      -2.842905     -7.183220      3.945448
  H      -1.603159     -6.747601      5.633158
  H      -1.347271     -5.650348      4.279346
  H      -3.537321     -7.770920      4.561910
  H      -2.139781     -7.877213      3.449479
  H      -6.946932     -7.081764      3.273647
  H      -5.760699     -7.088264      4.576918
  H      -5.206336     -6.804448      1.589879
  H      -4.791740     -8.205349      2.613672
  H      -2.774199     -4.589845      0.242770
  H      -4.407104     -5.057972      0.711027
  H      -1.801153     -5.926143      2.054189
  H      -2.833574     -6.963153      1.024991
  C       1.322175     -1.589659      2.678148
  N       0.074243     -0.860038      2.884484
  C      -0.849042     -1.536980      3.795119
  C      -1.559753     -2.771006      3.225285
  C      -2.535820     -2.618542      2.028070
  C      -1.716691     -2.535600      0.717216
  C      -2.515105     -2.178637     -0.545024
  C      -3.360464     -0.917056     -0.349698
  C      -4.219104     -1.045047      0.908682
  C      -3.336625     -1.301540      2.129839
  C     -10.160220     -6.170605      6.130329
  N      -8.812796     -6.589733      5.758891
  C      -7.780000     -5.599182      6.082681
  C      -7.773350     -4.354635      5.194241
  C      -7.342834     -4.520472      3.712945
  C      -8.429733     -5.299467      2.938556
  C      -8.154954     -5.433492      1.433283
  C      -7.620659     -4.121366      0.820927
  C      -7.975656     -2.938892      1.722637
  C      -7.265665     -3.091082      3.072177
  C      -2.993569     -0.810649      9.035252
  N      -2.805366     -1.718473      7.916845
  C      -1.993313     -2.886880      8.218874
  C      -1.949978     -3.852127      7.024515
  C      -3.071649     -4.927557      6.840649
  C      -2.718356     -6.183328      7.681350
  C      -2.848728     -5.999599      9.199204
  C      -4.220347     -5.416444      9.615879
  C      -5.133919     -5.260328      8.400755
  C      -4.483868     -4.429493      7.291221
  H       1.816063     -1.894741      3.626043
  H       2.020735     -0.963988      2.105856
  H       1.134725     -2.502064      2.093002
  H       0.291157      0.059514      3.270477
  H      -0.325832     -1.865560      4.723048
  H      -1.612184     -0.807923      4.105958
  H      -0.820790     -3.549412      2.962293
  H      -2.123100     -3.183279      4.081598
  H      -1.135705     -3.461378      0.566770
  H      -0.977047     -1.738900      0.897619
  H      -1.815825     -2.049369     -1.387174
  H      -3.193314     -2.999163     -0.829928
  H      -3.983399     -0.737477     -1.240501
  H      -2.698663     -0.039398     -0.239182
  H      -4.803131     -0.124167      1.067993
  H      -4.945094     -1.866901      0.795898
  H      -3.938249     -1.284197      3.048925
  H      -2.612928     -0.472638      2.206395
  H     -10.238726     -5.810352      7.179315
  H     -10.497420     -5.355344      5.473383
  H     -10.853163     -7.012959      5.997356
  H      -8.591654     -7.456866      6.249800
  H      -7.872141     -5.255025      7.137168
  H      -6.803388     -6.098473      6.001100
  H      -7.084840     -3.633775      5.661183
  H      -8.767342     -3.875383      5.213182
  H      -8.630703     -6.272052      3.406476
  H      -9.360830     -4.726259      3.075655
  H      -9.094636     -5.725438      0.937098
  H      -7.444499     -6.252734      1.242652
  H      -8.009603     -3.983831     -0.199702
  H      -6.522119     -4.159237      0.742104
  H      -9.070557     -2.877027      1.846450
  H      -7.660952     -1.988839      1.262799
  H      -6.203848     -2.861895      2.914840
  H      -7.640756     -2.339073      3.783068
  H      -3.625933     -1.299026      9.793639
  H      -3.515711      0.091903      8.689606
  H      -2.049064     -0.498695      9.533324
  H      -2.437769     -1.226362      7.101487
  H      -2.423945     -3.361813      9.112569
  H      -0.949708     -2.612100      8.496473
  H      -1.944322     -3.224837      6.120310
  H      -0.981902     -4.381386      7.028707
  H      -1.688196     -6.507336      7.474146
  H      -3.379927     -7.001853      7.350535
  H      -2.683769     -6.976439      9.679436
  H      -2.032095     -5.353740      9.554977
  H      -4.703340     -6.061266     10.366283
  H      -4.086683     -4.433345     10.097639
  H      -6.086316     -4.791604      8.692792
  H      -5.393795     -6.260857      8.014941
  H      -4.422773     -3.374806      7.596989
  H      -5.140395     -4.452327      6.410678
  N      -4.701414     -2.739675      4.742510
  N      -4.981731     -1.748473      5.241841
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.496664996582
  N      -3.470737     -3.779246      2.107859
  C      -3.395549     -4.839540      1.106474
  C      -2.841405     -6.112031      1.732329
  N      -3.643788     -6.438278      2.930543
  C      -4.920168     -7.106577      2.589134
  C      -5.995507     -6.653954      3.561952
  N      -6.013187     -5.187810      3.609237
  Mo     -4.196049     -4.436476      3.877223
  N      -3.166526     -5.285167      5.391649
  C      -2.149606     -6.192150      4.850983
  C      -2.856980     -7.187035      3.939407
  H      -1.624664     -6.758486      5.633210
  H      -1.360795     -5.657182      4.284384
  H      -3.555296     -7.775321      4.550917
  H      -2.152976     -7.880820      3.444516
  H      -6.958097     -7.081369      3.248739
  H      -5.779955     -7.091222      4.558075
  H      -5.209337     -6.802221      1.573754
  H      -4.799565     -8.204823      2.597158
  H      -2.769047     -4.582455      0.243942
  H      -4.405090     -5.049284      0.703201
  H      -1.805861     -5.927025      2.054434
  H      -2.836745     -6.959126      1.018633
  C       1.315120     -1.585159      2.721508
  N       0.066532     -0.855064      2.922127
  C      -0.865561     -1.536731      3.820143
  C      -1.568711     -2.769082      3.238338
  C      -2.537929     -2.615186      2.035649
  C      -1.710550     -2.530223      0.730358
  C      -2.500068     -2.168676     -0.536067
  C      -3.345300     -0.906624     -0.343290
  C      -4.212664     -1.036545      0.908911
  C      -3.339559     -1.298414      2.135538
  C     -10.111927     -6.212306      6.126767
  N      -8.750077     -6.601694      5.776080
  C      -7.748072     -5.577246      6.089861
  C      -7.770074     -4.343869      5.186603
  C      -7.352184     -4.519747      3.702978
  C      -8.448186     -5.301213      2.943761
  C      -8.187137     -5.448826      1.437297
  C      -7.647975     -4.145657      0.810389
  C      -7.989608     -2.952412      1.702951
  C      -7.276855     -3.095033      3.052321
  C      -2.931424     -0.794854      9.011481
  N      -2.780572     -1.720076      7.901708
  C      -1.980461     -2.896756      8.205273
  C      -1.953186     -3.865000      7.013592
  C      -3.083958     -4.931093      6.838563
  C      -2.739599     -6.187841      7.681861
  C      -2.864391     -6.000617      9.199831
  C      -4.226377     -5.397287      9.618900
  C      -5.143901     -5.237599      8.407367
  C      -4.489528     -4.418316      7.291614
  H       1.798552     -1.900976      3.671317
  H       2.021000     -0.955178      2.163047
  H       1.132234     -2.491144      2.124980
  H       0.281147      0.060976      3.317738
  H      -0.352460     -1.868884      4.752451
  H      -1.632460     -0.809401      4.125813
  H      -0.826514     -3.545129      2.977723
  H      -2.138426     -3.184916      4.088235
  H      -1.130481     -3.456799      0.581351
  H      -0.970302     -1.735545      0.917619
  H      -1.794742     -2.037693     -1.372922
  H      -3.176950     -2.987900     -0.827956
  H      -3.962446     -0.724831     -1.237688
  H      -2.683385     -0.029798     -0.226883
  H      -4.796374     -0.115275      1.067054
  H      -4.939427     -1.856558      0.787816
  H      -3.947481     -1.284512      3.050057
  H      -2.616222     -0.469930      2.220498
  H     -10.209951     -5.829949      7.166220
  H     -10.465983     -5.422454      5.447913
  H     -10.780083     -7.076618      6.008221
  H      -8.508828     -7.451392      6.287866
  H      -7.853979     -5.221830      7.139202
  H      -6.757431     -6.050518      6.019074
  H      -7.086972     -3.609035      5.639804
  H      -8.770421     -3.878004      5.209820
  H      -8.646991     -6.269444      3.421964
  H      -9.375720     -4.722881      3.083994
  H      -9.132762     -5.738026      0.950859
  H      -7.483791     -6.274304      1.247295
  H      -8.042494     -4.014208     -0.208912
  H      -6.550459     -4.193182      0.724540
  H      -9.083616     -2.881603      1.830379
  H      -7.670517     -2.009055      1.232389
  H      -6.215059     -2.865882      2.893311
  H      -7.652638     -2.339148      3.758745
  H      -3.558212     -1.261425      9.787890
  H      -3.442904      0.113157      8.664106
  H      -1.971995     -0.494843      9.488102
  H      -2.416226     -1.244339      7.074737
  H      -2.412264     -3.364119      9.102664
  H      -0.932648     -2.632011      8.477135
  H      -1.949618     -3.239464      6.108248
  H      -0.989269     -4.401803      7.011056
  H      -1.713001     -6.521605      7.472695
  H      -3.409388     -7.001051      7.354454
  H      -2.713105     -6.979713      9.680079
  H      -2.037616     -5.366871      9.554266
  H      -4.713452     -6.030041     10.376906
  H      -4.077729     -4.412083     10.091938
  H      -6.088891     -4.755632      8.702046
  H      -5.418620     -6.236559      8.027104
  H      -4.416975     -3.363214      7.593786
  H      -5.149333     -4.438295      6.413601
  N      -4.712701     -2.744491      4.737097
  N      -4.995498     -1.753765      5.236836
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.496990705356
  N      -3.474184     -3.778017      2.112828
  C      -3.395626     -4.834384      1.107294
  C      -2.844440     -6.109427      1.731419
  N      -3.652009     -6.438938      2.926078
  C      -4.926470     -7.107899      2.576453
  C      -6.006582     -6.658686      3.545171
  N      -6.024376     -5.192338      3.594606
  Mo     -4.208314     -4.441374      3.876123
  N      -3.183425     -5.292547      5.393230
  C      -2.166054     -6.200874      4.853301
  C      -2.870234     -7.191813      3.936207
  H      -1.645489     -6.770816      5.635910
  H      -1.373764     -5.665350      4.292213
  H      -3.572401     -7.780907      4.542542
  H      -2.165313     -7.885122      3.442083
  H      -6.967253     -7.085391      3.225836
  H      -5.797681     -7.098054      4.541677
  H      -5.210570     -6.801299      1.560299
  H      -4.804227     -8.205953      2.582333
  H      -2.764768     -4.574151      0.248869
  H      -4.403390     -5.042000      0.698545
  H      -1.810055     -5.926354      2.058307
  H      -2.838064     -6.954635      1.015624
  C       1.300806     -1.571560      2.766267
  N       0.050157     -0.844025      2.963364
  C      -0.888200     -1.533550      3.848700
  C      -1.581529     -2.764955      3.254241
  C      -2.544629     -2.610713      2.046634
  C      -1.709715     -2.521968      0.746645
  C      -2.491410     -2.156714     -0.523490
  C      -3.338527     -0.895682     -0.332480
  C      -4.213924     -1.029502      0.913730
  C      -3.349396     -1.295628      2.145371
  C     -10.087464     -6.250838      6.110936
  N      -8.713769     -6.617108      5.782030
  C      -7.737589     -5.567020      6.090434
  C      -7.776163     -4.342395      5.175999
  C      -7.363002     -4.524770      3.691728
  C      -8.463188     -5.308251      2.940077
  C      -8.208309     -5.465834      1.433550
  C      -7.662104     -4.170002      0.797827
  C      -7.996430     -2.968429      1.681839
  C      -7.288086     -3.103304      3.034556
  C      -2.837430     -0.772727      8.976810
  N      -2.727671     -1.717333      7.878530
  C      -1.950449     -2.908074      8.188843
  C      -1.945512     -3.883936      7.003519
  C      -3.091734     -4.934584      6.839270
  C      -2.762143     -6.193618      7.685270
  C      -2.879845     -6.002203      9.203377
  C      -4.228695     -5.372039      9.625214
  C      -5.150024     -5.204372      8.417720
  C      -4.487721     -4.400314      7.295303
  H       1.775561     -1.898107      3.716866
  H       2.011818     -0.935182      2.221682
  H       1.123990     -2.470732      2.157650
  H       0.260670      0.068326      3.369678
  H      -0.383549     -1.869345      4.784318
  H      -1.660050     -0.809936      4.150785
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  H      -0.970165     -1.728154      0.940719
  H      -1.780635     -2.022572     -1.355249
  H      -3.165673     -2.975652     -0.822342
  H      -3.950507     -0.712354     -1.230135
  H      -2.677938     -0.018651     -0.210098
  H      -4.799004     -0.108997      1.071192
  H      -4.939905     -1.848973      0.784265
  H      -3.963419     -1.286853      3.055416
  H      -2.628033     -0.466279      2.238951
  H     -10.205180     -5.849941      7.141316
  H     -10.451266     -5.482688      5.412528
  H     -10.735683     -7.131664      6.003225
  H      -8.459274     -7.451511      6.312614
  H      -7.859005     -5.202695      7.134947
  H      -6.736549     -6.020214      6.032567
  H      -7.097750     -3.598853      5.622029
  H      -8.780497     -3.885020      5.199245
  H      -8.660855     -6.273444      3.425149
  H      -9.388526     -4.726282      3.079935
  H      -9.157279     -5.751546      0.951548
  H      -7.510818     -6.296744      1.245785
  H      -8.056888     -4.042725     -0.221920
  H      -6.565177     -4.226122      0.710804
  H      -9.090263     -2.890183      1.807069
  H      -7.671578     -2.030541      1.204235
  H      -6.225864     -2.872155      2.880185
  H      -7.669735     -2.345698      3.735999
  H      -3.465024     -1.210742      9.768933
  H      -3.329002      0.144153      8.623925
  H      -1.863176     -0.492787      9.435414
  H      -2.360286     -1.262526      7.040654
  H      -2.388601     -3.360810      9.090822
  H      -0.896908     -2.661349      8.455754
  H      -1.939140     -3.263377      6.094878
  H      -0.989437     -4.434559      6.997085
  H      -1.741024     -6.542281      7.473644
  H      -3.444384     -6.998035      7.361839
  H      -2.747144     -6.984015      9.683684
  H      -2.039877     -5.384964      9.556160
  H      -4.722229     -5.989853     10.391326
  H      -4.059907     -4.385619     10.088885
  H      -6.084695     -4.704291      8.715277
  H      -5.445122     -6.200264      8.043488
  H      -4.398641     -3.345294      7.593263
  H      -5.150802     -4.414582      6.419968
  N      -4.726332     -2.751994      4.735840
  N      -5.013021     -1.762153      5.236201
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.497284324922
  N      -3.472612     -3.776391      2.113458
  C      -3.393082     -4.829058      1.103877
  C      -2.847299     -6.106971      1.727421
  N      -3.660474     -6.436406      2.919446
  C      -4.933768     -7.105695      2.561850
  C      -6.018799     -6.656621      3.524760
  N      -6.034459     -5.189757      3.572769
  Mo     -4.217832     -4.442789      3.871174
  N      -3.200111     -5.297112      5.392581
  C      -2.181826     -6.207197      4.853946
  C      -2.883601     -7.193757      3.931161
  H      -1.667214     -6.781844      5.637142
  H      -1.385002     -5.671504      4.299640
  H      -3.590261     -7.782785      4.532348
  H      -2.178607     -7.887421      3.437856
  H      -6.977883     -7.081988      3.199729
  H      -5.818249     -7.095843      4.522919
  H      -5.211543     -6.798407      1.544185
  H      -4.810633     -8.203587      2.567748
  H      -2.756800     -4.567278      0.249916
  H      -4.399251     -5.032658      0.689321
  H      -1.813704     -5.927570      2.058699
  H      -2.841387     -6.951360      1.010873
  C       1.290315     -1.562032      2.808649
  N       0.039299     -0.833483      2.999480
  C      -0.908470     -1.527593      3.871128
  C      -1.590740     -2.758560      3.264685
  C      -2.545718     -2.606553      2.050313
  C      -1.700887     -2.519161      0.756953
  C      -2.471464     -2.153111     -0.519594
  C      -3.319507     -0.891658     -0.335897
  C      -4.205329     -1.024606      0.902994
  C      -3.352280     -1.291962      2.142193
  C     -10.032916     -6.286124      6.110746
  N      -8.648364     -6.623794      5.796861
  C      -7.701276     -5.544754      6.094842
  C      -7.766778     -4.329834      5.169640
  C      -7.370763     -4.520781      3.682008
  C      -8.482976     -5.306319      2.949719
  C      -8.247838     -5.479221      1.441613
  C      -7.693550     -4.195437      0.788988
  C      -8.010274     -2.981120      1.661661
  C      -7.300017     -3.104193      3.014874
  C      -2.784819     -0.765549      8.961537
  N      -2.709215     -1.721355      7.870159
  C      -1.943387     -2.920348      8.181247
  C      -1.950649     -3.895977      6.996492
  C      -3.103438     -4.938660      6.839129
  C      -2.782209     -6.199836      7.685288
  C      -2.894886     -6.009082      9.204080
  C      -4.232036     -5.357212      9.629091
  C      -5.158390     -5.186668      8.426172
  C      -4.493095     -4.392695      7.297973
  H       1.753185     -1.901057      3.760766
  H       2.009445     -0.921273      2.280089
  H       1.118613     -2.453467      2.187300
  H       0.247426      0.074562      3.416610
  H      -0.415124     -1.865772      4.811901
  H      -1.685102     -0.806011      4.165847
  H      -0.839057     -3.527287      3.010471
  H      -2.174575     -3.183330      4.099034
  H      -1.120905     -3.446686      0.613883
  H      -0.961285     -1.726697      0.956778
  H      -1.753196     -2.018737     -1.344860
  H      -3.143010     -2.972064     -0.824665
  H      -3.924631     -0.709349     -1.238394
  H      -2.659697     -0.014662     -0.209326
  H      -4.791478     -0.104036      1.055738
  H      -4.930609     -1.843344      0.765971
  H      -3.974259     -1.285412      3.046261
  H      -2.632408     -0.462169      2.243424
  H     -10.167190     -5.866088      7.131419
  H     -10.412171     -5.543017      5.393697
  H     -10.658065     -7.185307      6.019196
  H      -8.375619     -7.440623      6.345710
  H      -7.834233     -5.172125      7.135041
  H      -6.688563     -5.972809      6.044046
  H      -7.089802     -3.576850      5.602443
  H      -8.775337     -3.882274      5.201393
  H      -8.676357     -6.266869      3.446181
  H      -9.403318     -4.717908      3.095277
  H      -9.205524     -5.757905      0.972934
  H      -7.562069     -6.319435      1.252447
  H      -8.094933     -4.074145     -0.228908
  H      -6.598306     -4.265514      0.693724
  H      -9.102883     -2.891030      1.790357
  H      -7.679235     -2.052043      1.171191
  H      -6.238198     -2.870230      2.861116
  H      -7.686529     -2.343944      3.710821
  H      -3.409119     -1.184705      9.766117
  H      -3.263286      0.158138      8.608376
  H      -1.798495     -0.501774      9.403788
  H      -2.341538     -1.279655      7.024830
  H      -2.384807     -3.368575      9.084178
  H      -0.887352     -2.682796      8.446762
  H      -1.947797     -3.275337      6.088058
  H      -0.997815     -4.451956      6.982465
  H      -1.764710     -6.557229      7.471151
  H      -3.472383     -6.997997      7.363284
  H      -2.779339     -6.994651      9.681212
  H      -2.044055     -5.407754      9.558592
  H      -4.728197     -5.960566     10.404923
  H      -4.046690     -4.368291     10.080884
  H      -6.084958     -4.673568      8.727183
  H      -5.468752     -6.180449      8.057874
  H      -4.394586     -3.337824      7.593606
  H      -5.158811     -4.404600      6.425097
  N      -4.734489     -2.754666      4.729246
  N      -5.024749     -1.765094      5.229468
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.497450742151
  N      -3.475678     -3.777959      2.121411
  C      -3.391961     -4.826102      1.107188
  C      -2.848299     -6.106122      1.728908
  N      -3.666932     -6.438573      2.917493
  C      -4.937700     -7.109300      2.550044
  C      -6.028113     -6.664255      3.508003
  N      -6.044150     -5.197023      3.558094
  Mo     -4.228296     -4.451017      3.873093
  N      -3.213538     -5.307172      5.396485
  C      -2.195638     -6.219482      4.857700
  C      -2.895122     -7.201310      3.929814
  H      -1.685725     -6.798510      5.640806
  H      -1.395182     -5.683595      4.309071
  H      -3.605979     -7.790746      4.525681
  H      -2.190216     -7.894786      3.436306
  H      -6.984829     -7.088871      3.175689
  H      -5.835514     -7.105520      4.506678
  H      -5.209303     -6.799190      1.531593
  H      -4.811820     -8.206845      2.553326
  H      -2.750979     -4.560229      0.258128
  H      -4.395870     -5.027999      0.686355
  H      -1.816075     -5.928319      2.065242
  H      -2.840713     -6.949121      1.010947
  C       1.268419     -1.535972      2.852505
  N       0.013758     -0.813229      3.041612
  C      -0.937761     -1.518761      3.899922
  C      -1.605801     -2.750185      3.280226
  C      -2.556671     -2.601215      2.062060
  C      -1.706054     -2.506934      0.773175
  C      -2.470749     -2.138680     -0.506286
  C      -3.325674     -0.881959     -0.322729
  C      -4.217915     -1.023605      0.910575
  C      -3.371474     -1.291620      2.153843
  C     -10.025485     -6.306890      6.101893
  N      -8.633972     -6.630908      5.804176
  C      -7.704397     -5.534509      6.092330
  C      -7.776369     -4.329444      5.154589
  C      -7.380111     -4.527910      3.667534
  C      -8.494304     -5.313689      2.937381
  C      -8.258860     -5.497172      1.430406
  C      -7.687923     -4.223696      0.772164
  C      -8.000255     -2.999808      1.632500
  C      -7.305879     -3.114552      2.994948
  C      -2.684803     -0.753873      8.924021
  N      -2.645146     -1.723832      7.843218
  C      -1.905171     -2.937463      8.163888
  C      -1.934877     -3.921407      6.986952
  C      -3.105386     -4.944990      6.842169
  C      -2.802924     -6.208462      7.691816
  C      -2.908674     -6.013069      9.210749
  C      -4.228755     -5.328708      9.637613
  C      -5.158558     -5.148774      8.438937
  C      -4.482815     -4.373041      7.303955
  H       1.723637     -1.886960      3.804029
  H       1.990901     -0.886383      2.339426
  H       1.104980     -2.419257      2.217366
  H       0.215609      0.090360      3.471524
  H      -0.451462     -1.860156      4.843196
  H      -1.721157     -0.803304      4.191777
  H      -0.847322     -3.512415      3.027186
  H      -2.194700     -3.182420      4.106146
  H      -1.122853     -3.432458      0.630192
  H      -0.969411     -1.713235      0.979508
  H      -1.747966     -1.997266     -1.326472
  H      -3.136296     -2.959677     -0.819075
  H      -3.927185     -0.700060     -1.227762
  H      -2.670774     -0.002147     -0.190191
  H      -4.810291     -0.107055      1.063308
  H      -4.937889     -1.845717      0.765355
  H      -3.998803     -1.293975      3.053601
  H      -2.657331     -0.457914      2.263717
  H     -10.173146     -5.867260      7.112431
  H     -10.410647     -5.584832      5.366688
  H     -10.637398     -7.216641      6.025709
  H      -8.353353     -7.432569      6.371606
  H      -7.849603     -5.150532      7.126772
  H      -6.685815     -5.949700      6.054345
  H      -7.101536     -3.571528      5.582705
  H      -8.786272     -3.884632      5.183109
  H      -8.689763     -6.271030      3.439272
  H      -9.411909     -4.719879      3.078229
  H      -9.219010     -5.766948      0.961466
  H      -7.582869     -6.346396      1.246359
  H      -8.081668     -4.105743     -0.249144
  H      -6.592957     -4.306517      0.684016
  H      -9.093347     -2.899548      1.750170
  H      -7.657588     -2.077808      1.136539
  H      -6.242952     -2.876453      2.855767
  H      -7.706321     -2.353909      3.682593
  H      -3.315330     -1.145745      9.737441
  H      -3.138674      0.179694      8.564279
  H      -1.687851     -0.514771      9.356549
  H      -2.268982     -1.301734      6.990919
  H      -2.355970     -3.369472      9.070362
  H      -0.844444     -2.719823      8.427711
  H      -1.927376     -3.307546      6.074023
  H      -0.991639     -4.493440      6.971004
  H      -1.792283     -6.583711      7.475828
  H      -3.507784     -6.995339      7.373938
  H      -2.817474     -7.001372      9.687652
  H      -2.042816     -5.433110      9.564826
  H      -4.732012     -5.912449     10.423799
  H      -4.019089     -4.338765     10.076284
  H      -6.072239     -4.614099      8.742156
  H      -5.493095     -6.137976      8.077963
  H      -4.364506     -3.319046      7.595097
  H      -5.151320     -4.377014      6.433755
  N      -4.744152     -2.765440      4.729324
  N      -5.039258     -1.776411      5.229277
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.497609333333
  N      -3.475543     -3.779054      2.131460
  C      -3.387313     -4.821473      1.112047
  C      -2.847853     -6.103753      1.732615
  N      -3.673688     -6.437961      2.916565
  C      -4.941432     -7.109418      2.536533
  C      -6.039208     -6.666742      3.485948
  N      -6.053569     -5.199261      3.536847
  Mo     -4.238250     -4.457495      3.876719
  N      -3.228225     -5.316688      5.402306
  C      -2.210187     -6.230677      4.863748
  C      -2.907715     -7.206947      3.929621
  H      -1.706444     -6.815096      5.647018
  H      -1.405212     -5.694668      4.322048
  H      -3.623384     -7.796482      4.519622
  H      -2.203016     -7.900450      3.436093
  H      -6.993255     -7.089579      3.144174
  H      -5.857928     -7.109807      4.485803
  H      -5.204231     -6.796758      1.516598
  H      -4.813671     -8.206638      2.538204
  H      -2.739457     -4.551655      0.269465
  H      -4.388134     -5.020836      0.682821
  H      -1.817278     -5.928301      2.074988
  H      -2.838719     -6.945424      1.013377
  C       1.244407     -1.505295      2.900723
  N      -0.013638     -0.786133      3.080998
  C      -0.972448     -1.498839      3.925247
  C      -1.622424     -2.734151      3.295823
  C      -2.566460     -2.594947      2.071430
  C      -1.707012     -2.499936      0.788583
  C      -2.462575     -2.138980     -0.498242
  C      -3.327948     -0.888044     -0.324858
  C      -4.228834     -1.032642      0.901740
  C      -3.391085     -1.290962      2.152739
  C     -10.005317     -6.321587      6.098698
  N      -8.609896     -6.632524      5.804453
  C      -7.693568     -5.522826      6.084126
  C      -7.776477     -4.324375      5.139513
  C      -7.387519     -4.528912      3.651621
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  C      -7.692320     -4.248860      0.756377
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  C      -2.587130     -0.747829      8.901277
  N      -2.588915     -1.727102      7.827774
  C      -1.873970     -2.955881      8.152511
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  C      -3.110493     -4.952225      6.847215
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  C      -5.159798     -5.125216      8.452917
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  H       1.687622     -1.866017      3.854288
  H       1.972796     -0.849336      2.404424
  H       1.090681     -2.381857      2.254015
  H       0.181903      0.113855      3.521415
  H      -0.496889     -1.838351      4.874745
  H      -1.763979     -0.788283      4.206965
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  H      -1.118546     -3.423200      0.652959
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  H      -1.733049     -1.993251     -1.311664
  H      -3.118778     -2.965565     -0.816252
  H      -3.924137     -0.713903     -1.234908
  H      -2.680642     -0.002975     -0.190461
  H      -4.829838     -0.120564      1.046993
  H      -4.940941     -1.860784      0.752456
  H      -4.026043     -1.296873      3.046707
  H      -2.684214     -0.451660      2.266830
  H     -10.157856     -5.869241      7.102851
  H     -10.400216     -5.615314      5.353424
  H     -10.606026     -7.239830      6.036661
  H      -8.319638     -7.423356      6.382424
  H      -7.844010     -5.132265      7.115520
  H      -6.670064     -5.926268      6.049718
  H      -7.100761     -3.563620      5.561262
  H      -8.787252     -3.881852      5.171393
  H      -8.701420     -6.269747      3.439040
  H      -9.421790     -4.716175      3.071960
  H      -9.246690     -5.766783      0.959265
  H      -7.618808     -6.370016      1.240146
  H      -8.081588     -4.134666     -0.267086
  H      -6.598469     -4.346776      0.672038
  H      -9.087768     -2.901609      1.712719
  H      -7.640450     -2.100539      1.099849
  H      -6.250530     -2.873645      2.849442
  H      -7.730386     -2.358973      3.653073
  H      -3.219143     -1.114994      9.724806
  H      -3.016909      0.196469      8.540036
  H      -1.578219     -0.536463      9.320215
  H      -2.206438     -1.321864      6.969485
  H      -2.332213     -3.375248      9.061303
  H      -0.809066     -2.757664      8.414326
  H      -1.918582     -3.333833      6.064743
  H      -0.990996     -4.528237      6.957942
  H      -1.817160     -6.606791      7.479602
  H      -3.538807     -6.994680      7.382819
  H      -2.853793     -7.013253      9.691834
  H      -2.042712     -5.462640      9.573692
  H      -4.731960     -5.873163     10.445141
  H      -3.994735     -4.316897     10.069883
  H      -6.063885     -4.575473      8.758323
  H      -5.511376     -6.111325      8.099081
  H      -4.347256     -3.309191      7.599619
  H      -5.149951     -4.362453      6.444387
  N      -4.753936     -2.773901      4.733348
  N      -5.051926     -1.785584      5.234312
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.497746112293
  N      -3.475001     -3.785507      2.144357
  C      -3.380578     -4.822482      1.120234
  C      -2.847037     -6.107303      1.740069
  N      -3.681919     -6.442646      2.917843
  C      -4.946751     -7.113179      2.523200
  C      -6.052089     -6.671508      3.463152
  N      -6.062872     -5.203917      3.515366
  Mo     -4.248020     -4.468928      3.882605
  N      -3.243392     -5.332119      5.409639
  C      -2.226931     -6.249562      4.871764
  C      -2.924033     -7.219390      3.931751
  H      -1.730272     -6.839315      5.655653
  H      -1.416732     -5.714961      4.336628
  H      -3.645887     -7.807598      4.515497
  H      -2.220785     -7.914192      3.438226
  H      -7.003864     -7.090723      3.110985
  H      -5.883997     -7.117091      4.464019
  H      -5.199350     -6.797030      1.501834
  H      -4.818139     -8.210166      2.522783
  H      -2.724369     -4.548946      0.285747
  H      -4.377440     -5.018649      0.680415
  H      -1.818604     -5.934852      2.090031
  H      -2.835905     -6.947927      1.019937
  C       1.215093     -1.471237      2.944916
  N      -0.046784     -0.756626      3.116297
  C      -1.010951     -1.476104      3.948941
  C      -1.640806     -2.717365      3.312740
  C      -2.580248     -2.590092      2.083470
  C      -1.713218     -2.486944      0.806029
  C      -2.460523     -2.130526     -0.486964
  C      -3.342454     -0.890777     -0.318676
  C      -4.251268     -1.048605      0.900164
  C      -3.420719     -1.296021      2.157859
  C      -9.990891     -6.330270      6.100403
  N      -8.593778     -6.631324      5.803145
  C      -7.686772     -5.511262      6.072312
  C      -7.780142     -4.320018      5.119920
  C      -7.394080     -4.530044      3.632122
  C      -8.517877     -5.314099      2.913622
  C      -8.291561     -5.516799      1.406587
  C      -7.677568     -4.270327      0.736785
  C      -7.974135     -3.024817      1.569544
  C      -7.315817     -3.122138      2.952104
  C      -2.488752     -0.749062      8.873699
  N      -2.528643     -1.735146      7.806577
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  C      -1.914750     -3.971548      6.970771
  C      -3.113936     -4.962774      6.852973
  C      -2.839967     -6.227608      7.709303
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  C      -5.156182     -5.095828      8.471293
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  H       1.648304     -1.838575      3.900538
  H       1.947606     -0.809696      2.462400
  H       1.071024     -2.342962      2.289630
  H       0.142048      0.140667      3.565249
  H      -0.544558     -1.811081      4.904779
  H      -1.811225     -0.771180      4.219852
  H      -0.863068     -3.463080      3.070606
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  H      -1.724716     -1.973012     -1.292471
  H      -3.102906     -2.964049     -0.814691
  H      -3.933630     -0.723000     -1.233142
  H      -2.707252      0.001987     -0.178166
  H      -4.866918     -0.145693      1.040602
  H      -4.949693     -1.887196      0.744374
  H      -4.063096     -1.311370      3.045910
  H      -2.725531     -0.447966      2.278552
  H     -10.142964     -5.867659      7.099862
  H     -10.396480     -5.636772      5.348934
  H     -10.583153     -7.254777      6.052404
  H      -8.294266     -7.413367      6.388562
  H      -7.839365     -5.113568      7.100791
  H      -6.659591     -5.905462      6.039541
  H      -7.106193     -3.554587      5.535821
  H      -8.792405     -3.881218      5.152888
  H      -8.713982     -6.266232      3.425467
  H      -9.428412     -4.709149      3.052223
  H      -9.261720     -5.756157      0.941738
  H      -7.646727     -6.390497      1.225963
  H      -8.054182     -4.158445     -0.291666
  H      -6.584568     -4.385362      0.664737
  H      -9.067131     -2.899326      1.662713
  H      -7.603278     -2.120318      1.061827
  H      -6.252058     -2.869635      2.850315
  H      -7.753350     -2.364895      3.620848
  H      -3.121446     -1.093942      9.706235
  H      -2.896043      0.204738      8.511474
  H      -1.469841     -0.563931      9.280416
  H      -2.138547     -1.345516      6.943982
  H      -2.305375     -3.383522      9.048096
  H      -0.770596     -2.800157      8.397032
  H      -1.905523     -3.368278      6.051345
  H      -0.988387     -4.569801      6.944712
  H      -1.842196     -6.632640      7.487905
  H      -3.570330     -6.994506      7.401033
  H      -2.886156     -7.015793      9.704545
  H      -2.037326     -5.485189      9.581967
  H      -4.723097     -5.819123     10.473424
  H      -3.961512     -4.284033     10.061320
  H      -6.050170     -4.530097      8.777457
  H      -5.524756     -6.079763      8.128815
  H      -4.324154     -3.297957      7.600656
  H      -5.146636     -4.348925      6.457507
  N      -4.758836     -2.785231      4.736429
  N      -5.056701     -1.795869      5.236795
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.497862949856
  N      -3.474577     -3.789391      2.160104
  C      -3.373823     -4.819848      1.130901
  C      -2.844839     -6.106725      1.749288
  N      -3.687966     -6.444441      2.920548
  C      -4.949325     -7.114173      2.511268
  C      -6.061742     -6.674708      3.442748
  N      -6.070004     -5.207321      3.497437
  Mo     -4.256234     -4.478535      3.891495
  N      -3.255098     -5.345762      5.418346
  C      -2.240498     -6.265564      4.880153
  C      -2.937495     -7.228855      3.934296
  H      -1.750143     -6.860571      5.664180
  H      -1.425706     -5.731915      4.351067
  H      -3.664698     -7.816226      4.512255
  H      -2.235623     -7.924531      3.440191
  H      -7.011256     -7.090678      3.080921
  H      -5.905327     -7.123758      4.443846
  H      -5.192814     -6.793798      1.489042
  H      -4.819332     -8.210853      2.507869
  H      -2.709092     -4.541478      0.304792
  H      -4.366462     -5.013002      0.680042
  H      -1.818707     -5.936013      2.106523
  H      -2.830661     -6.945941      1.027802
  C       1.179988     -1.422545      2.987656
  N      -0.087468     -0.714554      3.145798
  C      -1.056141     -1.439349      3.968977
  C      -1.662116     -2.690768      3.331233
  C      -2.595024     -2.582920      2.094608
  C      -1.718236     -2.480596      0.823500
  C      -2.455113     -2.141480     -0.479988
  C      -3.356389     -0.913608     -0.329013
  C      -4.274311     -1.076167      0.882149
  C      -3.452348     -1.299200      2.149993
  C      -9.989578     -6.331023      6.095900
  N      -8.593349     -6.631866      5.793593
  C      -7.686303     -5.510821      6.059839
  C      -7.783891     -4.321304      5.105866
  C      -7.399305     -4.531410      3.617686
  C      -8.525622     -5.311662      2.898742
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  C      -7.658593     -4.282938      0.723965
  C      -7.952143     -3.029770      1.545451
  C      -7.318516     -3.123430      2.940378
  C      -2.380387     -0.754850      8.853851
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  C      -2.857651     -6.239592      7.719967
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  C      -4.209234     -5.257815      9.670584
  C      -5.153027     -5.069602      8.485540
  C      -4.459668     -4.339798      7.330813
  H       1.603697     -1.790248      3.947403
  H       1.914917     -0.756179      2.515629
  H       1.047984     -2.293290      2.328635
  H       0.092501      0.182370      3.599286
  H      -0.598600     -1.764176      4.932871
  H      -1.866789     -0.740925      4.225329
  H      -0.871735     -3.425770      3.098114
  H      -2.265208     -3.148754      4.129020
  H      -1.110568     -3.393670      0.704802
  H      -1.004797     -1.668773      1.040675
  H      -1.711860     -1.977133     -1.277256
  H      -3.080770     -2.986238     -0.811698
  H      -3.941024     -0.760817     -1.250287
  H      -2.735495     -0.010828     -0.188810
  H      -4.907083     -0.183113      1.008416
  H      -4.956093     -1.928613      0.727056
  H      -4.103568     -1.316446      3.031101
  H      -2.770294     -0.440536      2.270103
  H     -10.137451     -5.865710      7.094693
  H     -10.399173     -5.639989      5.344259
  H     -10.581361     -7.256085      6.053243
  H      -8.291630     -7.412836      6.379481
  H      -7.837381     -5.111429      7.087986
  H      -6.658578     -5.903484      6.025340
  H      -7.111140     -3.554056      5.519810
  H      -8.796825     -3.884349      5.140221
  H      -8.724186     -6.263368      3.410498
  H      -9.433665     -4.702805      3.036548
  H      -9.272902     -5.735324      0.923904
  H      -7.672203     -6.403354      1.209851
  H      -8.019804     -4.171335     -0.310083
  H      -6.566476     -4.413447      0.667188
  H      -9.045215     -2.893165      1.621426
  H      -7.565445     -2.132137      1.037462
  H      -6.255212     -2.860933      2.863816
  H      -7.778924     -2.372030      3.600443
  H      -3.012680     -1.078591      9.695139
  H      -2.764940      0.208453      8.491927
  H      -1.352242     -0.596929      9.248408
  H      -2.058504     -1.370279      6.926301
  H      -2.275097     -3.393476      9.039935
  H      -0.726926     -2.849183      8.387130
  H      -1.884651     -3.404629      6.043693
  H      -0.982677     -4.615389      6.939012
  H      -1.866731     -6.660470      7.497518
  H      -3.600652     -6.995455      7.414997
  H      -2.923343     -7.025252      9.714683
  H      -2.037179     -5.515084      9.593842
  H      -4.720779     -5.776621     10.495793
  H      -3.934492     -4.261934     10.056540
  H      -6.038553     -4.490219      8.791006
  H      -5.535587     -6.050076      8.148895
  H      -4.296878     -3.287514      7.606332
  H      -5.138275     -4.330670      6.469956
  N      -4.763367     -2.795053      4.744997
  N      -5.059419     -1.805136      5.246264
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.496781181141
  N      -3.481466     -3.793469      2.177568
  C      -3.368106     -4.817985      1.144764
  C      -2.841483     -6.104098      1.764177
  N      -3.698239     -6.446470      2.924929
  C      -4.953918     -7.115883      2.494167
  C      -6.077746     -6.682330      3.413372
  N      -6.085537     -5.215901      3.474340
  Mo     -4.275263     -4.488413      3.900689
  N      -3.282849     -5.356799      5.431822
  C      -2.268716     -6.278908      4.896857
  C      -2.960864     -7.237342      3.943622
  H      -1.784598     -6.876974      5.682708
  H      -1.449019     -5.745766      4.374341
  H      -3.696524     -7.823304      4.513349
  H      -2.257436     -7.934190      3.453644
  H      -7.023237     -7.096447      3.036521
  H      -5.935777     -7.136600      4.415013
  H      -5.184134     -6.790966      1.469833
  H      -4.822348     -8.211882      2.487047
  H      -2.694365     -4.533345      0.327234
  H      -4.355286     -5.012757      0.681343
  H      -1.819499     -5.931842      2.133472
  H      -2.818621     -6.941517      1.040685
  C       1.146506     -1.402885      3.021972
  N      -0.121931     -0.692240      3.160326
  C      -1.099054     -1.405391      3.984575
  C      -1.691097     -2.667719      3.353773
  C      -2.618374     -2.575475      2.111325
  C      -1.734894     -2.469837      0.844828
  C      -2.467652     -2.147728     -0.466423
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  C      -3.494050     -1.301954      2.152988
  C      -9.983735     -6.380548      6.047611
  N      -8.574849     -6.657920      5.763732
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  C      -2.172145     -0.743210      8.904309
  N      -2.373233     -1.754709      7.833226
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  C      -1.889846     -4.021862      6.952351
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  C      -2.957421     -6.020989      9.257646
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  C      -5.160377     -5.009861      8.521230
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  H       1.560152     -1.760630      3.988087
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  H       1.020200     -2.278494      2.371690
  H       0.055165      0.210018      3.600716
  H      -0.652050     -1.714784      4.960442
  H      -1.915512     -0.704525      4.219737
  H      -0.891627     -3.395880      3.128420
  H      -2.296781     -3.133151      4.145650
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  H      -1.031912     -1.648243      1.062468
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  H      -2.785325     -0.017719     -0.189881
  H      -4.963364     -0.219043      0.994102
  H      -4.979019     -1.969083      0.725102
  H      -4.149090     -1.322179      3.030189
  H      -2.824764     -0.431915      2.270307
  H     -10.151224     -5.903309      7.041062
  H     -10.403994     -5.706610      5.283410
  H     -10.554950     -7.320324      6.008080
  H      -8.260328     -7.428423      6.359787
  H      -7.860962     -5.108144      7.058484
  H      -6.654321     -5.885865      6.011571
  H      -7.149557     -3.550853      5.485447
  H      -8.828094     -3.908843      5.100343
  H      -8.742759     -6.265923      3.367505
  H      -9.442505     -4.701499      2.986804
  H      -9.264660     -5.728077      0.875509
  H      -7.674879     -6.415575      1.179393
  H      -7.975271     -4.181350     -0.345092
  H      -6.539682     -4.435105      0.656373
  H      -9.025644     -2.891977      1.563797
  H      -7.529227     -2.143590      1.004053
  H      -6.259270     -2.866087      2.863857
  H      -7.803207     -2.384942      3.569987
  H      -2.757546     -1.033702      9.809271
  H      -2.555788      0.231874      8.573760
  H      -1.088857     -0.609955      9.216812
  H      -2.011131     -1.404245      6.934606
  H      -2.174524     -3.419820      9.053105
  H      -0.635289     -2.902058      8.344973
  H      -1.898174     -3.417426      6.034223
  H      -0.981675     -4.652693      6.884419
  H      -1.904221     -6.682371      7.507598
  H      -3.650102     -6.985953      7.442357
  H      -2.966111     -7.018040      9.733582
  H      -2.029700     -5.528352      9.605284
  H      -4.723287     -5.696655     10.538757
  H      -3.897623     -4.202294     10.064701
  H      -6.032946     -4.405830      8.832698
  H      -5.569906     -5.989464      8.197651
  H      -4.269807     -3.250358      7.617545
  H      -5.148389     -4.291753      6.497660
  N      -4.789452     -2.811369      4.752480
  N      -5.093737     -1.825751      5.255499
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.497734684693
  N      -3.471782     -3.802324      2.195413
  C      -3.350346     -4.822923      1.161570
  C      -2.830400     -6.108176      1.785347
  N      -3.700730     -6.446620      2.936963
  C      -4.951157     -7.114469      2.486756
  C      -6.086146     -6.678314      3.389083
  N      -6.088083     -5.212089      3.449114
  Mo     -4.279526     -4.494304      3.909842
  N      -3.295398     -5.359629      5.447806
  C      -2.285344     -6.290141      4.917826
  C      -2.977692     -7.243424      3.961614
  H      -1.811664     -6.893340      5.706649
  H      -1.457762     -5.762873      4.401836
  H      -3.723092     -7.822370      4.526051
  H      -2.276946     -7.946561      3.476936
  H      -7.027618     -7.087884      2.997487
  H      -5.964011     -7.134801      4.392379
  H      -5.165133     -6.788980      1.458908
  H      -4.820046     -8.210445      2.481883
  H      -2.666038     -4.537096      0.353879
  H      -4.332099     -5.016243      0.685754
  H      -1.811814     -5.937867      2.164260
  H      -2.803545     -6.946871      1.064158
  C       1.111969     -1.369558      3.030177
  N      -0.156177     -0.653106      3.146618
  C      -1.141268     -1.347406      3.977768
  C      -1.712976     -2.627978      3.364632
  C      -2.637359     -2.566002      2.117029
  C      -1.749545     -2.456135      0.853252
  C      -2.478446     -2.155706     -0.466825
  C      -3.431787     -0.960469     -0.344204
  C      -4.358231     -1.143795      0.857882
  C      -3.541069     -1.310005      2.140421
  C      -9.954134     -6.385627      6.057429
  N      -8.545741     -6.648059      5.771991
  C      -7.679117     -5.490662      6.024515
  C      -7.809295     -4.320557      5.048782
  C      -7.414729     -4.534119      3.563843
  C      -8.540132     -5.304180      2.833201
  C      -8.293698     -5.518502      1.329987
  C      -7.597895     -4.307992      0.671827
  C      -7.891373     -3.038682      1.467998
  C      -7.317437     -3.127994      2.891599
  C      -2.055015     -0.791855      8.935108
  N      -2.314524     -1.780169      7.875465
  C      -1.696830     -3.078054      8.143255
  C      -1.890400     -4.040382      6.963212
  C      -3.134924     -4.974265      6.885299
  C      -2.908914     -6.241909      7.752755
  C      -2.985528     -6.034904      9.272230
  C      -4.211639     -5.195235      9.700210
  C      -5.162277     -4.988143      8.524335
  C      -4.453766     -4.291419      7.361350
  H       1.515774     -1.715470      4.001408
  H       1.858334     -0.722683      2.558610
  H       0.990504     -2.250482      2.392549
  H       0.019920      0.256327      3.567081
  H      -0.707316     -1.631492      4.969705
  H      -1.964603     -0.643133      4.182285
  H      -0.900524     -3.345692      3.149902
  H      -2.319193     -3.101665      4.151856
  H      -1.115043     -3.355112      0.754900
  H      -1.060447     -1.621555      1.069516
  H      -1.726334     -1.968121     -1.251370
  H      -3.064724     -3.028765     -0.805906
  H      -4.012489     -0.845011     -1.275952
  H      -2.848747     -0.029038     -0.207982
  H      -5.033504     -0.276703      0.961259
  H      -4.998961     -2.031520      0.707611
  H      -4.200421     -1.336989      3.014111
  H      -2.891927     -0.422757      2.252767
  H     -10.124967     -5.895470      7.043355
  H     -10.380894     -5.732786      5.282106
  H     -10.515049     -7.330368      6.037975
  H      -8.222117     -7.403430      6.381116
  H      -7.850674     -5.076121      7.046029
  H      -6.637320     -5.847608      6.006025
  H      -7.157657     -3.531145      5.453833
  H      -8.832966     -3.908536      5.074068
  H      -8.754051     -6.252284      3.345379
  H      -9.441863     -4.682294      2.955962
  H      -9.267205     -5.702904      0.846288
  H      -7.695108     -6.427788      1.159851
  H      -7.921586     -4.196627     -0.375271
  H      -6.506530     -4.469474      0.652214
  H      -8.985257     -2.876697      1.501459
  H      -7.466500     -2.155344      0.961921
  H      -6.252911     -2.853621      2.869274
  H      -7.821653     -2.385967      3.532335
  H      -2.606585     -1.075521      9.854515
  H      -2.421119      0.191843      8.619632
  H      -0.970677     -0.690055      9.211760
  H      -1.971177     -1.428090      6.983826
  H      -2.141959     -3.472831      9.065049
  H      -0.609242     -2.971192      8.355412
  H      -1.905857     -3.419721      6.055209
  H      -0.996218     -4.681508      6.873348
  H      -1.931542     -6.690797      7.530734
  H      -3.671763     -6.977035      7.451143
  H      -3.023340     -7.034086      9.741236
  H      -2.053864     -5.570973      9.634963
  H      -4.731067     -5.670297     10.544731
  H      -3.889521     -4.202318     10.055218
  H      -6.024759     -4.374187      8.830882
  H      -5.583086     -5.956914      8.200306
  H      -4.251175     -3.244548      7.630360
  H      -5.140026     -4.263869      6.508125
  N      -4.788776     -2.812682      4.755693
  N      -5.088590     -1.822212      5.256780
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.497608119264
  N      -3.450419     -3.809497      2.170526
  C      -3.325258     -4.835353      1.142231
  C      -2.819751     -6.124781      1.772616
  N      -3.698476     -6.459015      2.917526
  C      -4.951163     -7.119506      2.468905
  C      -6.084748     -6.676949      3.372934
  N      -6.086147     -5.211375      3.432583
  Mo     -4.277101     -4.495111      3.877692
  N      -3.304695     -5.358368      5.424569
  C      -2.296494     -6.296544      4.908439
  C      -2.986082     -7.252065      3.951414
  H      -1.830099     -6.895727      5.705307
  H      -1.462647     -5.776728      4.393562
  H      -3.736741     -7.826601      4.513984
  H      -2.282893     -7.960094      3.476077
  H      -7.028844     -7.084350      2.985807
  H      -5.958387     -7.133246      4.376333
  H      -5.164609     -6.794153      1.440177
  H      -4.826209     -8.217093      2.466557
  H      -2.633941     -4.557348      0.337691
  H      -4.306290     -5.023272      0.660538
  H      -1.801566     -5.960960      2.157620
  H      -2.791852     -6.963330      1.051364
  C       1.146089     -1.407826      3.013314
  N      -0.117557     -0.685527      3.147552
  C      -1.101160     -1.383801      3.979997
  C      -1.688971     -2.655976      3.362306
  C      -2.605572     -2.576531      2.109197
  C      -1.707832     -2.455634      0.850339
  C      -2.423016     -2.122343     -0.469113
  C      -3.357830     -0.917618     -0.330287
  C      -4.299016     -1.110696      0.860203
  C      -3.497320     -1.313955      2.146165
  C      -9.896872     -6.436678      6.119845
  N      -8.497491     -6.682726      5.788669
  C      -7.627962     -5.532378      6.027791
  C      -7.781300     -4.349350      5.075690
  C      -7.416051     -4.541373      3.580692
  C      -8.551403     -5.316625      2.871069
  C      -8.344225     -5.505959      1.359065
  C      -7.695215     -4.275478      0.701572
  C      -7.978367     -3.026453      1.529335
  C      -7.347121     -3.129221      2.920052
  C      -2.192124     -0.818473      8.922519
  N      -2.372468     -1.778966      7.853442
  C      -1.723802     -3.065802      8.124008
  C      -1.900755     -4.025081      6.937929
  C      -3.146217     -4.958097      6.859817
  C      -2.934156     -6.216939      7.742575
  C      -3.012243     -5.989494      9.260829
  C      -4.237492     -5.143215      9.682949
  C      -5.181553     -4.938487      8.500161
  C      -4.462048     -4.261560      7.324780
  H       1.553391     -1.774201      3.981261
  H       1.895248     -0.752187      2.548624
  H       1.015342     -2.280300      2.357487
  H       0.067858      0.221752      3.575550
  H      -0.662800     -1.678579      4.966221
  H      -1.918048     -0.678008      4.197817
  H      -0.885335     -3.382801      3.146655
  H      -2.297495     -3.122442      4.154795
  H      -1.082876     -3.358288      0.739601
  H      -1.009744     -1.634123      1.084489
  H      -1.663015     -1.933329     -1.247923
  H      -3.021590     -2.978490     -0.825483
  H      -3.926432     -0.774170     -1.263759
  H      -2.761647     -0.000425     -0.170812
  H      -4.959712     -0.235766      0.975671
  H      -4.954171     -1.981906      0.687111
  H      -4.166533     -1.344972      3.015406
  H      -2.837551     -0.438201      2.280172
  H     -10.043856     -5.975190      7.108050
  H     -10.340679     -5.773499      5.377642
  H     -10.457507     -7.376684      6.101829
  H      -8.157478     -7.443943      6.371382
  H      -7.774609     -5.139178      7.054935
  H      -6.588936     -5.887706      5.972808
  H      -7.128055     -3.564081      5.473141
  H      -8.807486     -3.943109      5.129931
  H      -8.740061     -6.272745      3.376468
  H      -9.458811     -4.712695      3.027767
  H      -9.325758     -5.707091      0.899836
  H      -7.730575     -6.395766      1.158612
  H      -8.056652     -4.156750     -0.329594
  H      -6.604374     -4.414290      0.642207
  H      -9.069236     -2.884927      1.606767
  H      -7.586113     -2.130279      1.026651
  H      -6.289145     -2.853514      2.849395
  H      -7.817269     -2.392910      3.585994
  H      -2.749403     -1.136034      9.818406
  H      -2.585278      0.151013      8.597551
  H      -1.141589     -0.687426      9.237279
  H      -2.034309     -1.395994      6.960463
  H      -2.163357     -3.471417      9.055018
  H      -0.638159     -2.947367      8.333943
  H      -1.914051     -3.402130      6.024183
  H      -1.000915     -4.664865      6.853831
  H      -1.960129     -6.676291      7.525685
  H      -3.703168     -6.949611      7.449054
  H      -3.049138     -6.980022      9.745359
  H      -2.080097     -5.520884      9.612710
  H      -4.767090     -5.613859     10.530492
  H      -3.910198     -4.149188     10.038515
  H      -6.038873     -4.312939      8.800858
  H      -5.614750     -5.907465      8.184339
  H      -4.248974     -3.211248      7.580292
  H      -5.144786     -4.236743      6.466883
  N      -4.778950     -2.797992      4.714603
  N      -5.052596     -1.790952      5.204758
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.493382958503
  N      -3.462723     -3.798658      2.182073
  C      -3.346112     -4.823509      1.151360
  C      -2.845302     -6.118962      1.775926
  N      -3.719604     -6.455738      2.921209
  C      -4.973255     -7.113493      2.481003
  C      -6.099385     -6.670396      3.392430
  N      -6.102510     -5.206022      3.449496
  Mo     -4.291205     -4.493090      3.885249
  N      -3.314522     -5.360245      5.427948
  C      -2.310374     -6.295321      4.904387
  C      -3.005081     -7.248986      3.949779
  H      -1.838698     -6.895087      5.696043
  H      -1.480880     -5.774172      4.385365
  H      -3.752452     -7.823896      4.514868
  H      -2.304457     -7.956697      3.471146
  H      -7.043517     -7.079691      3.012598
  H      -5.965539     -7.124004      4.394016
  H      -5.192913     -6.786880      1.456153
  H      -4.850432     -8.211128      2.476505
  H      -2.656743     -4.546523      0.345702
  H      -4.329104     -5.005336      0.671227
  H      -1.826160     -5.958649      2.159252
  H      -2.820965     -6.955078      1.050989
  C       1.144554     -1.422049      3.000386
  N      -0.114731     -0.696386      3.146324
  C      -1.092789     -1.393636      3.986860
  C      -1.692283     -2.660750      3.374459
  C      -2.606464     -2.575608      2.122060
  C      -1.707099     -2.465422      0.863657
  C      -2.415342     -2.124004     -0.455421
  C      -3.329232     -0.908456     -0.316184
  C      -4.275795     -1.091638      0.870051
  C      -3.481868     -1.305157      2.156680
  C      -9.907899     -6.481640      6.070502
  N      -8.480708     -6.712589      5.800108
  C      -7.637647     -5.505254      6.039788
  C      -7.820871     -4.328324      5.056300
  C      -7.434501     -4.535778      3.570480
  C      -8.560791     -5.319764      2.852471
  C      -8.343151     -5.514473      1.340618
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  C      -7.990266     -3.028284      1.503924
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  C      -2.204574     -0.816099      8.905511
  N      -2.350875     -1.762752      7.844088
  C      -1.720128     -3.057033      8.116824
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  C      -3.141219     -4.958802      6.862171
  C      -2.909920     -6.213899      7.742273
  C      -2.961329     -5.973587      9.262061
  C      -4.188131     -5.144729      9.706018
  C      -5.149467     -4.956144      8.534269
  C      -4.456311     -4.274192      7.346078
  H       1.555859     -1.797398      3.967594
  H       1.893904     -0.760388      2.535780
  H       1.006532     -2.293009      2.335266
  H       0.078498      0.213825      3.570953
  H      -0.647183     -1.692104      4.965540
  H      -1.901854     -0.687387      4.215755
  H      -0.894103     -3.391686      3.158233
  H      -2.298863     -3.121812      4.168946
  H      -1.093248     -3.373531      0.753436
  H      -1.001483     -1.652916      1.097287
  H      -1.654378     -1.947267     -1.234088
  H      -3.025712     -2.968064     -0.809582
  H      -3.889884     -0.752546     -1.249384
  H      -2.720942     -0.004940     -0.151682
  H      -4.925291     -0.210795      0.984200
  H      -4.938771     -1.953343      0.694969
  H      -4.153342     -1.325994      3.023546
  H      -2.812965     -0.439667      2.290724
  H     -10.072434     -5.940860      7.056318
  H     -10.387574     -5.851054      5.246159
  H     -10.438902     -7.485769      6.085910
  H      -8.120421     -7.463474      6.432323
  H      -7.805754     -5.086405      7.060911
  H      -6.575291     -5.837279      6.019164
  H      -7.190759     -3.501988      5.451939
  H      -8.864405     -3.952311      5.082298
  H      -8.752946     -6.275856      3.361450
  H      -9.471387     -4.717206      2.998808
  H      -9.320638     -5.719054      0.874442
  H      -7.726816     -6.404474      1.146902
  H      -8.047688     -4.169799     -0.355210
  H      -6.603795     -4.415422      0.635002
  H      -9.081974     -2.891732      1.575432
  H      -7.601383     -2.130967      0.999532
  H      -6.302777     -2.852793      2.834335
  H      -7.831985     -2.381363      3.561680
  H      -2.783898     -1.145053      9.764870
  H      -2.580297      0.165803      8.576353
  H      -1.176933     -0.695817      9.251533
  H      -1.997388     -1.371826      6.971048
  H      -2.170745     -3.459589      9.040927
  H      -0.634402     -2.946840      8.332871
  H      -1.905006     -3.400399      6.021216
  H      -0.998357     -4.656479      6.855416
  H      -1.936265     -6.671274      7.508451
  H      -3.682647     -6.952344      7.464457
  H      -2.972644     -6.955117      9.751262
  H      -2.033085     -5.488165      9.591348
  H      -4.699569     -5.622702     10.559431
  H      -3.867323     -4.148187     10.061349
  H      -6.011503     -4.346644      8.845768
  H      -5.567633     -5.930976      8.224550
  H      -4.249561     -3.221955      7.596911
  H      -5.152108     -4.259182      6.497830
  N      -4.794141     -2.802042      4.728371
  N      -5.075426     -1.805874      5.224753
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.496887085957
  N      -3.469185     -3.791150      2.188552
  C      -3.355592     -4.813774      1.153605
  C      -2.843799     -6.107453      1.772103
  N      -3.707119     -6.449872      2.924204
  C      -4.957628     -7.118124      2.491948
  C      -6.080545     -6.682224      3.408546
  N      -6.092688     -5.217061      3.463871
  Mo     -4.284430     -4.492846      3.895216
  N      -3.297810     -5.357519      5.433010
  C      -2.287513     -6.281530      4.900357
  C      -2.979050     -7.238466      3.945964
  H      -1.806948     -6.880317      5.685552
  H      -1.465575     -5.751600      4.380169
  H      -3.717262     -7.820591      4.513656
  H      -2.276254     -7.939229      3.461300
  H      -7.021581     -7.099526      3.033231
  H      -5.938821     -7.132575      4.408256
  H      -5.185475     -6.794923      1.469850
  H      -4.826524     -8.214252      2.486484
  H      -2.673147     -4.531518      0.344536
  H      -4.339261     -4.999195      0.678746
  H      -1.824687     -5.940871      2.148965
  H      -2.818815     -6.943095      1.045875
  C       1.131828     -1.382825      3.007411
  N      -0.133849     -0.669141      3.146527
  C      -1.108323     -1.372876      3.985581
  C      -1.698437     -2.643242      3.373022
  C      -2.615962     -2.566612      2.122497
  C      -1.721931     -2.462952      0.862155
  C      -2.436973     -2.136813     -0.456158
  C      -3.355104     -0.923358     -0.324585
  C      -4.294853     -1.100535      0.866237
  C      -3.494798     -1.298480      2.150495
  C      -9.974448     -6.336962      6.068003
  N      -8.579730     -6.638344      5.786143
  C      -7.690589     -5.497136      6.033439
  C      -7.820692     -4.326422      5.055182
  C      -7.426971     -4.548909      3.572110
  C      -8.548748     -5.339132      2.851819
  C      -8.315894     -5.554041      1.343525
  C      -7.657063     -4.329195      0.675529
  C      -7.964591     -3.062295      1.478377
  C      -7.351787     -3.141781      2.888317
  C      -2.130739     -0.771544      8.917124
  N      -2.337610     -1.753442      7.861603
  C      -1.729209     -3.052788      8.131862
  C      -1.903393     -4.015427      6.952426
  C      -3.134319     -4.969863      6.871646
  C      -2.879472     -6.227878      7.739126
  C      -2.946002     -6.010612      9.260390
  C      -4.189316     -5.224560      9.700300
  C      -5.142007     -5.036723      8.522877
  C      -4.461428     -4.319507      7.357342
  H       1.539738     -1.752259      3.979438
  H       1.878706     -0.713500      2.544728
  H       1.005379     -2.257848      2.340559
  H       0.049705      0.245500      3.568130
  H      -0.661882     -1.667027      4.963548
  H      -1.921907     -0.672773      4.214412
  H      -0.895022     -3.367996      3.156820
  H      -2.300601     -3.108070      4.166568
  H      -1.104932     -3.369874      0.758034
  H      -1.020269     -1.645115      1.086469
  H      -1.680922     -1.964177     -1.238218
  H      -3.044479     -2.986423     -0.799537
  H      -3.920173     -0.777599     -1.256419
  H      -2.750418     -0.016250     -0.170054
  H      -4.949438     -0.223000      0.974542
  H      -4.951329     -1.968353      0.702005
  H      -4.161051     -1.315097      3.018797
  H      -2.829671     -0.429636      2.273095
  H     -10.127799     -5.817083      7.061801
  H     -10.395527     -5.679725      5.265045
  H     -10.550250     -7.285080      6.062316
  H      -8.273495     -7.402567      6.402725
  H      -7.841004     -5.080098      7.058135
  H      -6.659339     -5.873089      6.004602
  H      -7.175772     -3.522731      5.457137
  H      -8.845783     -3.921530      5.074949
  H      -8.750489     -6.289638      3.370330
  H      -9.458737     -4.730603      2.982244
  H      -9.289160     -5.760922      0.869825
  H      -7.700681     -6.450398      1.167404
  H      -7.995718     -4.229345     -0.370381
  H      -6.565600     -4.464449      0.645398
  H      -9.058170     -2.924533      1.535433
  H      -7.571028     -2.169604      0.965681
  H      -6.290103     -2.868911      2.832690
  H      -7.831834     -2.390732      3.537345
  H      -2.714189     -1.068321      9.796172
  H      -2.484297      0.226524      8.595290
  H      -1.068722     -0.671227      9.234132
  H      -1.980455     -1.390549      6.978440
  H      -2.187147     -3.449694      9.046319
  H      -0.641788     -2.947531      8.352466
  H      -1.910134     -3.396799      6.047023
  H      -1.004904     -4.640561      6.876015
  H      -1.896524     -6.659470      7.509569
  H      -3.630478     -6.978318      7.445829
  H      -2.935648     -6.993412      9.737322
  H      -2.038201     -5.509579      9.605188
  H      -4.688689     -5.728521     10.534511
  H      -3.899960     -4.235595     10.074423
  H      -6.019121     -4.458563      8.831824
  H      -5.526307     -6.010267      8.193485
  H      -4.279199     -3.272871      7.627390
  H      -5.152740     -4.303634      6.506652
  N      -4.798297     -2.816698      4.745254
  N      -5.105014     -1.839209      5.250634
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.498141080618
  N      -3.470237     -3.795974      2.193539
  C      -3.356185     -4.819137      1.160183
  C      -2.842980     -6.108981      1.782683
  N      -3.709908     -6.445719      2.935058
  C      -4.961690     -7.110733      2.495131
  C      -6.086391     -6.673780      3.407446
  N      -6.091410     -5.207672      3.467132
  Mo     -4.281272     -4.488879      3.904441
  N      -3.297058     -5.353198      5.444332
  C      -2.291540     -6.286450      4.913670
  C      -2.987193     -7.239445      3.959260
  H      -1.817132     -6.889785      5.700430
  H      -1.463706     -5.762777      4.395421
  H      -3.730884     -7.816295      4.526223
  H      -2.288431     -7.945412      3.476053
  H      -7.028541     -7.085915      3.025773
  H      -5.952464     -7.129352      4.407132
  H      -5.183671     -6.784231      1.471705
  H      -4.833075     -8.207134      2.488250
  H      -2.672568     -4.537469      0.351755
  H      -4.339146     -5.006041      0.684959
  H      -1.824155     -5.941769      2.160258
  H      -2.818260     -6.947362      1.060255
  C       1.122697     -1.370832      3.008025
  N      -0.146433     -0.660011      3.130826
  C      -1.123257     -1.353789      3.973461
  C      -1.706083     -2.630709      3.367682
  C      -2.626753     -2.566517      2.117798
  C      -1.737789     -2.465716      0.855049
  C      -2.462566     -2.162470     -0.464443
  C      -3.400192     -0.958911     -0.344263
  C      -4.330294     -1.134798      0.854289
  C      -3.518993     -1.305820      2.136996
  C      -9.956423     -6.427007      6.039353
  N      -8.541492     -6.674107      5.751147
  C      -7.681098     -5.514709      6.021889
  C      -7.827487     -4.335828      5.061119
  C      -7.422911     -4.535620      3.578763
  C      -8.538700     -5.309554      2.839265
  C      -8.286266     -5.509010      1.335650
  C      -7.606091     -4.285445      0.690892
  C      -7.921151     -3.027161      1.497056
  C      -7.337248     -3.122663      2.916382
  C      -2.064657     -0.782321      8.914195
  N      -2.302608     -1.772202      7.871490
  C      -1.703064     -3.069719      8.142070
  C      -1.891357     -4.030915      6.965831
  C      -3.137188     -4.968439      6.883833
  C      -2.912443     -6.237956      7.751885
  C      -2.987581     -6.026122      9.272372
  C      -4.218171     -5.188447      9.704465
  C      -5.166639     -4.982680      8.526318
  C      -4.457953     -4.286344      7.359887
  H       1.531056     -1.714786      3.981974
  H       1.865011     -0.715187      2.532139
  H       1.002859     -2.256674      2.365640
  H       0.030533      0.259184      3.538183
  H      -0.681188     -1.637612      4.957797
  H      -1.939923     -0.650804      4.189170
  H      -0.898560     -3.352427      3.154371
  H      -2.309004     -3.096889      4.160219
  H      -1.111038     -3.368521      0.758982
  H      -1.044342     -1.636811      1.069332
  H      -1.710848     -1.986277     -1.249493
  H      -3.058142     -3.026926     -0.798325
  H      -3.974659     -0.834508     -1.275932
  H      -2.808095     -0.037587     -0.204943
  H      -4.998652     -0.264934      0.955039
  H      -4.974442     -2.016807      0.704068
  H      -4.179468     -1.322871      3.009006
  H      -2.863477     -0.426133      2.246255
  H     -10.134670     -5.960874      7.031940
  H     -10.389606     -5.759976      5.282744
  H     -10.509829     -7.372144      5.995699
  H      -8.212318     -7.439298      6.340398
  H      -7.855316     -5.114165      7.047323
  H      -6.633737     -5.864629      5.996038
  H      -7.194505     -3.532932      5.471927
  H      -8.860103     -3.943622      5.083829
  H      -8.749311     -6.262406      3.342772
  H      -9.446970     -4.697776      2.964912
  H      -9.254944     -5.700119      0.847966
  H      -7.676664     -6.409148      1.159443
  H      -7.925558     -4.172077     -0.357139
  H      -6.513889     -4.430137      0.678185
  H      -9.016463     -2.883074      1.534314
  H      -7.512167     -2.133839      0.999268
  H      -6.272911     -2.845031      2.883956
  H      -7.835452     -2.383843      3.567164
  H      -2.630011     -1.069370      9.812773
  H      -2.419113      0.207958      8.592306
  H      -0.994152     -0.679602      9.203451
  H      -1.952362     -1.419446      6.986612
  H      -2.160309     -3.462728      9.054483
  H      -0.615925     -2.967671      8.359253
  H      -1.894251     -3.411297      6.064745
  H      -1.001495     -4.666787      6.884299
  H      -1.932612     -6.691166      7.529567
  H      -3.678631     -6.975472      7.450301
  H      -3.019313     -7.023987      9.742796
  H      -2.053955     -5.556722      9.631048
  H      -4.741819     -5.670634     10.544863
  H      -3.897536     -4.194561     10.068328
  H      -6.032969     -4.372653      8.832575
  H      -5.580742     -5.954828      8.201179
  H      -4.255007     -3.236971      7.626936
  H      -5.144438     -4.261941      6.506883
  N      -4.790515     -2.806108      4.749573
  N      -5.092948     -1.820953      5.251282
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.497219370225
  N      -3.454479     -3.809818      2.187928
  C      -3.328479     -4.832315      1.157302
  C      -2.829316     -6.122354      1.788548
  N      -3.713926     -6.452847      2.929580
  C      -4.965343     -7.109337      2.471871
  C      -6.100716     -6.668101      3.372096
  N      -6.096038     -5.202141      3.437809
  Mo     -4.285525     -4.494294      3.891543
  N      -3.312384     -5.357828      5.438799
  C      -2.310665     -6.301865      4.918193
  C      -3.007361     -7.251881      3.962379
  H      -1.847996     -6.907643      5.711913
  H      -1.473492     -5.787200      4.404471
  H      -3.761657     -7.820597      4.524822
  H      -2.310301     -7.965580      3.486881
  H      -7.043545     -7.070520      2.976734
  H      -5.984268     -7.130657      4.373690
  H      -5.172122     -6.777360      1.444366
  H      -4.842440     -8.206985      2.464160
  H      -2.630140     -4.553625      0.359529
  H      -4.305488     -5.015680      0.667413
  H      -1.813402     -5.960542      2.178226
  H      -2.800412     -6.961489      1.068568
  C       1.112275     -1.343376      3.058242
  N      -0.166826     -0.642635      3.148168
  C      -1.153594     -1.330432      3.983806
  C      -1.715134     -2.619871      3.378191
  C      -2.622992     -2.571262      2.115332
  C      -1.717520     -2.464549      0.863122
  C      -2.427265     -2.173612     -0.470037
  C      -3.387329     -0.981781     -0.367778
  C      -4.331002     -1.166646      0.820734
  C      -3.532487     -1.320279      2.116903
  C      -9.912099     -6.427852      6.104628
  N      -8.505207     -6.660177      5.783704
  C      -7.646655     -5.495692      6.025052
  C      -7.806655     -4.322647      5.059254
  C      -7.423101     -4.525645      3.568895
  C      -8.553386     -5.295780      2.846332
  C      -8.323339     -5.498380      1.338268
  C      -7.630045     -4.285849      0.684691
  C      -7.922386     -3.020672      1.487781
  C      -7.335395     -3.116167      2.902949
  C      -2.075810     -0.848046      8.969004
  N      -2.354831     -1.809145      7.899458
  C      -1.684560     -3.086703      8.128094
  C      -1.901971     -4.028031      6.932106
  C      -3.142697     -4.962554      6.873114
  C      -2.916449     -6.222226      7.748509
  C      -2.996921     -6.014031      9.267119
  C      -4.215550     -5.175192      9.690054
  C      -5.161456     -4.965487      8.511459
  C      -4.454236     -4.276160      7.345798
  H       1.513317     -1.653616      4.037211
  H       1.851729     -0.702792      2.573953
  H       1.010015     -2.240672      2.446375
  H      -0.005697      0.281398      3.542357
  H      -0.725780     -1.599520      4.983291
  H      -1.981765     -0.627796      4.175094
  H      -0.896999     -3.335771      3.178186
  H      -2.324520     -3.090216      4.164199
  H      -1.077821     -3.361621      0.779099
  H      -1.035637     -1.625773      1.085628
  H      -1.664038     -1.987003     -1.243814
  H      -3.005181     -3.050186     -0.814260
  H      -3.953461     -0.871070     -1.309739
  H      -2.810447     -0.046963     -0.224135
  H      -5.014393     -0.304992      0.909082
  H      -4.961647     -2.060121      0.665206
  H      -4.205538     -1.342949      2.981892
  H      -2.888870     -0.429508      2.232370
  H     -10.067766     -5.959343      7.091818
  H     -10.364926     -5.772959      5.353157
  H     -10.461860     -7.378395      6.089413
  H      -8.159683     -7.417061      6.374091
  H      -7.805214     -5.092974      7.049617
  H      -6.601138     -5.840291      5.983561
  H      -7.167613     -3.522062      5.457205
  H      -8.838502     -3.930255      5.097250
  H      -8.759413     -6.247816      3.354377
  H      -9.456830     -4.680527      2.984555
  H      -9.302507     -5.674956      0.863331
  H      -7.730028     -6.407606      1.152378
  H      -7.954855     -4.172344     -0.360772
  H      -6.538995     -4.445392      0.663684
  H      -9.015297     -2.863532      1.531182
  H      -7.504053     -2.134486      0.983319
  H      -6.273766     -2.840664      2.868423
  H      -7.830608     -2.377706      3.551704
  H      -2.551914     -1.158298      9.927105
  H      -2.503891      0.109688      8.679698
  H      -0.986558     -0.712794      9.190049
  H      -2.072713     -1.435169      6.968531
  H      -2.080767     -3.503027      9.076530
  H      -0.591216     -2.963009      8.293381
  H      -1.948433     -3.392591      6.027224
  H      -1.001179     -4.662604      6.808189
  H      -1.942172     -6.669732      7.532577
  H      -3.674266     -6.956727      7.447511
  H      -3.037992     -7.007861      9.739631
  H      -2.069122     -5.555197      9.630523
  H      -4.733990     -5.648647     10.532277
  H      -3.892343     -4.189387     10.046470
  H      -6.020495     -4.351507      8.814081
  H      -5.581946     -5.930177      8.189053
  H      -4.247381     -3.232381      7.608807
  H      -5.138262     -4.247237      6.491879
  N      -4.786340     -2.794652      4.727056
  N      -5.058097     -1.785548      5.217217
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.497298707226
  N      -3.446457     -3.815503      2.168745
  C      -3.301911     -4.839476      1.141382
  C      -2.803487     -6.126865      1.778128
  N      -3.695755     -6.462942      2.912255
  C      -4.944219     -7.122571      2.451238
  C      -6.083964     -6.688251      3.353162
  N      -6.087747     -5.223161      3.423235
  Mo     -4.282267     -4.502708      3.868818
  N      -3.314147     -5.361458      5.422309
  C      -2.306922     -6.303527      4.911329
  C      -2.993311     -7.257317      3.950723
  H      -1.847027     -6.904637      5.710668
  H      -1.467284     -5.787602      4.401485
  H      -3.748969     -7.829622      4.508623
  H      -2.289051     -7.968044      3.480745
  H      -7.025389     -7.094572      2.957311
  H      -5.963894     -7.151279      4.354790
  H      -5.151622     -6.789461      1.423538
  H      -4.817432     -8.219739      2.440811
  H      -2.597637     -4.558533      0.348324
  H      -4.273568     -5.029225      0.642608
  H      -1.791317     -5.959732      2.176395
  H      -2.763237     -6.965040      1.057337
  C       1.104758     -1.316194      3.042210
  N      -0.178803     -0.628414      3.153634
  C      -1.151445     -1.337606      3.988767
  C      -1.713119     -2.624720      3.374758
  C      -2.619662     -2.567637      2.110789
  C      -1.710624     -2.436648      0.861384
  C      -2.419304     -2.129203     -0.468823
  C      -3.385676     -0.942777     -0.350043
  C      -4.334163     -1.151261      0.831854
  C      -3.538542     -1.321769      2.127730
  C      -9.907328     -6.339285      6.141029
  N      -8.529194     -6.625328      5.807872
  C      -7.640233     -5.494766      6.025265
  C      -7.781845     -4.331127      5.053268
  C      -7.417761     -4.553059      3.559255
  C      -8.555830     -5.339838      2.861646
  C      -8.350135     -5.557906      1.349201
  C      -7.681953     -4.343295      0.670701
  C      -7.965581     -3.070419      1.471307
  C      -7.342553     -3.150574      2.871951
  C      -2.046001     -0.861998      9.026414
  N      -2.289660     -1.792527      7.932747
  C      -1.674097     -3.119431      8.148585
  C      -1.894928     -4.046905      6.932975
  C      -3.152092     -4.964845      6.857158
  C      -2.952562     -6.231949      7.735517
  C      -3.027595     -6.011594      9.253938
  C      -4.239271     -5.137904      9.678704
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  C      -4.458097     -4.249866      7.324851
  H       1.513136     -1.644027      4.018429
  H       1.837171     -0.654220      2.565854
  H       1.006146     -2.206573      2.407973
  H      -0.022657      0.294084      3.559985
  H      -0.710314     -1.615294      4.977908
  H      -1.982017     -0.645271      4.199545
  H      -0.894269     -3.338102      3.169901
  H      -2.320754     -3.099527      4.163204
  H      -1.064408     -3.327981      0.765427
  H      -1.033210     -1.597145      1.097247
  H      -1.653863     -1.928056     -1.239672
  H      -2.994772     -3.003735     -0.825852
  H      -3.949092     -0.818026     -1.291128
  H      -2.811224     -0.008483     -0.189799
  H      -5.021765     -0.294086      0.931412
  H      -4.961551     -2.043665      0.660483
  H      -4.215316     -1.359869      2.990693
  H      -2.898488     -0.429300      2.258315
  H     -10.035479     -5.840076      7.129736
  H     -10.340567     -5.688192      5.366764
  H     -10.482660     -7.274729      6.155920
  H      -8.209192     -7.382604      6.411347
  H      -7.768132     -5.085338      7.051261
  H      -6.618098     -5.868592      5.967945
  H      -7.128659     -3.539636      5.439932
  H      -8.801623     -3.922235      5.099332
  H      -8.750361     -6.289078      3.385478
  H      -9.460974     -4.728660      3.008514
  H      -9.335500     -5.752023      0.892110
  H      -7.750018     -6.462472      1.161534
  H      -8.028938     -4.243885     -0.370365
  H      -6.590942     -4.492005      0.628753
  H      -9.056762     -2.921210      1.540085
  H      -7.565768     -2.184085      0.950531
  H      -6.283720     -2.882978      2.805237
  H      -7.812356     -2.399367      3.522003
  H      -2.586783     -1.185199      9.919966
  H      -2.421551      0.143662      8.747415
  H      -0.973843     -0.782441      9.317872
  H      -1.953034     -1.402816      7.056478
  H      -2.110043     -3.538796      9.072621
  H      -0.576849     -3.043191      8.349078
  H      -1.923413     -3.398869      6.034912
  H      -1.001063     -4.701011      6.811639
  H      -1.982227     -6.703440      7.519604
  H      -3.729927     -6.956211      7.437460
  H      -3.085636     -7.008786      9.732164
  H      -2.081554     -5.563789      9.610674
  H      -4.777522     -5.599745     10.526208
  H      -3.892022     -4.147003     10.033451
  H      -6.035211     -4.278987      8.803075
  H      -5.629186     -5.883477      8.184225
  H      -4.229936     -3.202024      7.581404
  H      -5.142960     -4.213840      6.470446
  N      -4.792322     -2.806572      4.702826
  N      -5.066399     -1.799388      5.191763
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.498051447705
  N      -3.449779     -3.807412      2.182813
  C      -3.318883     -4.829646      1.150248
  C      -2.822932     -6.123438      1.780388
  N      -3.708709     -6.460611      2.919085
  C      -4.960266     -7.115977      2.463782
  C      -6.091282     -6.682452      3.372770
  N      -6.093367     -5.217743      3.445445
  Mo     -4.282491     -4.502618      3.883097
  N      -3.312159     -5.365851      5.433489
  C      -2.309772     -6.308050      4.914430
  C      -3.003412     -7.257479      3.953397
  H      -1.846575     -6.913373      5.707307
  H      -1.472109     -5.792658      4.401716
  H      -3.757268     -7.829002      4.514329
  H      -2.303193     -7.969389      3.480013
  H      -7.033845     -7.089520      2.982688
  H      -5.962900     -7.147113      4.370950
  H      -5.173477     -6.779989      1.439891
  H      -4.837729     -8.213186      2.450019
  H      -2.617869     -4.549469      0.354258
  H      -4.294521     -5.013119      0.655002
  H      -1.808043     -5.960495      2.174102
  H      -2.789628     -6.959602      1.055156
  C       1.127585     -1.384761      3.019294
  N      -0.139210     -0.669165      3.144955
  C      -1.117754     -1.365519      3.984822
  C      -1.703182     -2.639641      3.376999
  C      -2.613262     -2.571185      2.121445
  C      -1.712558     -2.452430      0.866461
  C      -2.423837     -2.132768     -0.455908
  C      -3.367370     -0.935742     -0.326472
  C      -4.311903     -1.134101      0.858354
  C      -3.513699     -1.316530      2.146611
  C      -9.925511     -6.443505      6.081255
  N      -8.522118     -6.695483      5.766824
  C      -7.652620     -5.541332      6.019377
  C      -7.813486     -4.359332      5.064781
  C      -7.425791     -4.548659      3.574623
  C      -8.550114     -5.320495      2.845077
  C      -8.325429     -5.498497      1.334285
  C      -7.665241     -4.264514      0.695333
  C      -7.970697     -3.021165      1.523633
  C      -7.353099     -3.130784      2.921952
  C      -2.063306     -0.777841      8.899757
  N      -2.309132     -1.762855      7.860100
  C      -1.717230     -3.068187      8.120977
  C      -1.909532     -4.021970      6.941997
  C      -3.150874     -4.963416      6.869657
  C      -2.925466     -6.217469      7.756732
  C      -3.001524     -5.982213      9.275313
  C      -4.229944     -5.145586      9.702360
  C      -5.176577     -4.956896      8.520958
  C      -4.469509     -4.275998      7.339696
  H       1.529839     -1.751196      3.998749
  H       1.878548     -0.716737      2.557757
  H       1.004434     -2.263666      2.355565
  H       0.041865      0.250631      3.554755
  H      -0.674671     -1.653399      4.966953
  H      -1.933221     -0.663613      4.204908
  H      -0.895114     -3.361126      3.165513
  H      -2.307776     -3.106491      4.169425
  H      -1.082174     -3.350963      0.763877
  H      -1.023573     -1.624903      1.097700
  H      -1.662896     -1.942706     -1.231525
  H      -3.014197     -2.993242     -0.808385
  H      -3.930181     -0.798202     -1.261296
  H      -2.780055     -0.016309     -0.165902
  H      -4.986496     -0.270087      0.963837
  H      -4.949395     -2.016994      0.689607
  H      -4.184974     -1.344257      3.012049
  H      -2.863032     -0.435525      2.271471
  H     -10.080713     -5.971534      7.077475
  H     -10.368585     -5.777427      5.324368
  H     -10.483129     -7.391392      6.055591
  H      -8.187917     -7.463284      6.352647
  H      -7.803484     -5.147395      7.049109
  H      -6.610600     -5.894183      5.969917
  H      -7.181268     -3.555579      5.469432
  H      -8.847878     -3.973874      5.103039
  H      -8.747319     -6.279850      3.340472
  H      -9.460238     -4.718294      2.994569
  H      -9.302439     -5.688830      0.861847
  H      -7.714656     -6.390257      1.133202
  H      -8.003949     -4.142474     -0.343691
  H      -6.573116     -4.399055      0.663157
  H      -9.063580     -2.888028      1.587291
  H      -7.578442     -2.119821      1.031209
  H      -6.293205     -2.855121      2.861959
  H      -7.829237     -2.397356      3.588691
  H      -2.618658     -1.067064      9.805034
  H      -2.418419      0.214723      8.582593
  H      -0.994002     -0.675592      9.175539
  H      -1.963960     -1.404824      6.977372
  H      -2.173156     -3.466232      9.033080
  H      -0.630857     -2.973127      8.333251
  H      -1.918901     -3.397468      6.042129
  H      -1.019068     -4.653822      6.852967
  H      -1.946436     -6.670111      7.539308
  H      -3.688665     -6.960478      7.467194
  H      -3.028155     -6.967276      9.762532
  H      -2.074236     -5.504691      9.620120
  H      -4.753082     -5.620640     10.552222
  H      -3.910135     -4.147819     10.056504
  H      -6.042223     -4.345576      8.821718
  H      -5.589385     -5.934158      8.209171
  H      -4.263611     -3.222824      7.592929
  H      -5.155866     -4.261727      6.485523
  N      -4.797738     -2.817594      4.729063
  N      -5.091010     -1.830859      5.228630
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.498335026550
  N      -3.469956     -3.801035      2.195769
  C      -3.350351     -4.824360      1.163796
  C      -2.848857     -6.116173      1.789531
  N      -3.722199     -6.447083      2.936123
  C      -4.972813     -7.108572      2.493261
  C      -6.096840     -6.669470      3.405548
  N      -6.100604     -5.203434      3.465035
  Mo     -4.290986     -4.489687      3.899782
  N      -3.308093     -5.352283      5.441753
  C      -2.307832     -6.292219      4.914387
  C      -3.006569     -7.242986      3.961692
  H      -1.839520     -6.897086      5.703083
  H      -1.475569     -5.775326      4.397821
  H      -3.753937     -7.814656      4.527552
  H      -2.311432     -7.954041      3.480772
  H      -7.037961     -7.078888      3.023817
  H      -5.965863     -7.124773      4.404286
  H      -5.192141     -6.778115      1.471461
  H      -4.845069     -8.205425      2.483427
  H      -2.655996     -4.546342      0.365104
  H      -4.327683     -5.003923      0.676219
  H      -1.832658     -5.953738      2.172946
  H      -2.823274     -6.955866      1.069537
  C       1.090954     -1.310781      3.037244
  N      -0.191853     -0.620242      3.132552
  C      -1.166737     -1.314703      3.975887
  C      -1.727107     -2.606975      3.378688
  C      -2.634423     -2.565541      2.116022
  C      -1.729411     -2.474059      0.862999
  C      -2.434219     -2.185145     -0.471254
  C      -3.377823     -0.986053     -0.375938
  C      -4.325646     -1.158294      0.809432
  C      -3.534361     -1.310621      2.107363
  C      -9.948934     -6.402463      6.042405
  N      -8.531933     -6.647698      5.755764
  C      -7.677452     -5.482511      6.022966
  C      -7.833390     -4.312813      5.053424
  C      -7.430967     -4.528766      3.572599
  C      -8.550556     -5.309236      2.842653
  C      -8.304040     -5.526950      1.337652
  C      -7.603020     -4.319648      0.680937
  C      -7.916096     -3.043961      1.466325
  C      -7.343082     -3.122357      2.894206
  C      -2.025844     -0.846604      8.995672
  N      -2.289580     -1.796134      7.926440
  C      -1.663119     -3.098987      8.149914
  C      -1.885469     -4.033981      6.947156
  C      -3.134596     -4.964907      6.879560
  C      -2.907425     -6.234211      7.743247
  C      -2.976264     -6.031010      9.265371
  C      -4.195219     -5.190092      9.702859
  C      -5.149582     -4.972609      8.529855
  C      -4.445784     -4.277047      7.365372
  H       1.496389     -1.623142      4.019318
  H       1.824991     -0.657181      2.552776
  H       0.994035     -2.211173      2.417513
  H      -0.036206      0.309744      3.521330
  H      -0.728617     -1.581185      4.968382
  H      -1.994271     -0.618220      4.176661
  H      -0.908155     -3.321108      3.181569
  H      -2.332427     -3.074631      4.170294
  H      -1.098704     -3.375376      0.785359
  H      -1.042034     -1.641199      1.079793
  H      -1.671444     -2.012069     -1.245890
  H      -3.020205     -3.053703     -0.807922
  H      -3.936669     -0.870304     -1.318622
  H      -2.792208     -0.061922     -0.232964
  H      -5.003814     -0.294675      0.890576
  H      -4.958582     -2.047946      0.657540
  H      -4.209031     -1.322623      2.968908
  H      -2.886403     -0.425794      2.218728
  H     -10.131933     -5.935731      7.034905
  H     -10.386270     -5.737157      5.289396
  H     -10.494659     -7.348109      5.995912
  H      -8.197440     -7.410876      6.347183
  H      -7.852606     -5.073782      7.045706
  H      -6.628256     -5.829985      5.998958
  H      -7.208356     -3.497855      5.455224
  H      -8.868347     -3.929489      5.072929
  H      -8.763793     -6.257499      3.357865
  H      -9.456579     -4.692556      2.964938
  H      -9.277830     -5.703890      0.853017
  H      -7.712072     -6.441228      1.165347
  H      -7.908269     -4.219835     -0.374582
  H      -6.512225     -4.476599      0.684101
  H      -9.011315     -2.892371      1.493992
  H      -7.498731     -2.159356      0.957098
  H      -6.278529     -2.844688      2.870115
  H      -7.847915     -2.375475      3.532810
  H      -2.545072     -1.161849      9.908692
  H      -2.414165      0.142411      8.710125
  H      -0.949514     -0.746302      9.255283
  H      -1.971317     -1.419967      7.024710
  H      -2.087695     -3.512517      9.078719
  H      -0.566008     -3.003594      8.336525
  H      -1.919383     -3.394522      6.052104
  H      -0.990789     -4.673273      6.825241
  H      -1.931069     -6.688139      7.517716
  H      -3.674441     -6.967216      7.440161
  H      -3.014210     -7.028506      9.729916
  H      -2.041205     -5.573480      9.627317
  H      -4.712705     -5.670410     10.540687
  H      -3.867294     -4.205640     10.069212
  H      -6.010751     -4.361508      8.840790
  H      -5.568336     -5.938424      8.201432
  H      -4.234509     -3.233750      7.636215
  H      -5.138393     -4.241615      6.516152
  N      -4.787839     -2.800190      4.739334
  N      -5.080631     -1.808574      5.239174
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.498371443032
  N      -3.437771     -3.816137      2.182961
  C      -3.297763     -4.837020      1.151452
  C      -2.810880     -6.129752      1.787741
  N      -3.708589     -6.461641      2.919546
  C      -4.960131     -7.110930      2.451236
  C      -6.097685     -6.676618      3.353279
  N      -6.092395     -5.211623      3.432714
  Mo     -4.280165     -4.504351      3.879737
  N      -3.315966     -5.368307      5.434378
  C      -2.317784     -6.319577      4.920382
  C      -3.013888     -7.264502      3.957807
  H      -1.864593     -6.929702      5.716569
  H      -1.472037     -5.811808      4.412371
  H      -3.775100     -7.829944      4.515425
  H      -2.316742     -7.982117      3.487990
  H      -7.040360     -7.076270      2.952907
  H      -5.981785     -7.147830      4.351594
  H      -5.163124     -6.768509      1.425991
  H      -4.840954     -8.208740      2.433705
  H      -2.585721     -4.557993      0.364597
  H      -4.267472     -5.018197      0.644480
  H      -1.798768     -5.969449      2.189658
  H      -2.774373     -6.967092      1.065117
  C       1.107223     -1.313216      3.052317
  N      -0.179467     -0.629169      3.146137
  C      -1.153478     -1.326589      3.988143
  C      -1.713925     -2.616697      3.384715
  C      -2.615484     -2.570050      2.119333
  C      -1.704785     -2.448557      0.872237
  C      -2.411349     -2.158423     -0.461858
  C      -3.384846     -0.976779     -0.357365
  C      -4.332596     -1.178728      0.825104
  C      -3.537449     -1.327958      2.122824
  C      -9.905734     -6.401624      6.147103
  N      -8.520560     -6.657569      5.794672
  C      -7.637752     -5.514344      6.019722
  C      -7.797742     -4.338293      5.060044
  C      -7.420268     -4.536456      3.566159
  C      -8.552582     -5.306682      2.846253
  C      -8.332016     -5.500785      1.335100
  C      -7.645451     -4.283181      0.684833
  C      -7.940255     -3.023078      1.495454
  C      -7.338224     -3.123596      2.903282
  C      -2.038613     -0.837020      8.952305
  N      -2.332932     -1.805546      7.898077
  C      -1.693191     -3.095179      8.125708
  C      -1.910295     -4.033031      6.932830
  C      -3.151995     -4.968723      6.868988
  C      -2.935803     -6.229772      7.750600
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  C      -4.239404     -5.157278      9.686867
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  C      -4.464793     -4.272068      7.333764
  H       1.517089     -1.612352      4.033480
  H       1.834296     -0.662256      2.559753
  H       1.014853     -2.218384      2.443842
  H      -0.028832      0.302293      3.530911
  H      -0.713888     -1.595668      4.979998
  H      -1.983068     -0.631537      4.190357
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  H      -1.055305     -3.338410      0.787087
  H      -1.033317     -1.603428      1.101739
  H      -1.645684     -1.960435     -1.231285
  H      -2.979839     -3.039230     -0.811935
  H      -3.947177     -0.865498     -1.300347
  H      -2.817703     -0.037455     -0.205599
  H      -5.027559     -0.326713      0.913772
  H      -4.950585     -2.079137      0.663843
  H      -4.214297     -1.358604      2.984934
  H      -2.902445     -0.431792      2.241567
  H     -10.023724     -5.919198      7.140623
  H     -10.365006     -5.744627      5.385387
  H     -10.471510     -7.353176      6.160484
  H      -8.184262     -7.422338      6.379724
  H      -7.766655     -5.119051      7.050335
  H      -6.605754     -5.874433      5.953770
  H      -7.157341     -3.539769      5.457120
  H      -8.827945     -3.946998      5.105769
  H      -8.754799     -6.261814      3.351292
  H      -9.457146     -4.694913      2.992740
  H      -9.314129     -5.674898      0.865085
  H      -7.739472     -6.407961      1.139253
  H      -7.972571     -4.168335     -0.359748
  H      -6.554010     -4.436206      0.663301
  H      -9.033106     -2.874180      1.548952
  H      -7.531613     -2.131656      0.992869
  H      -6.276977     -2.851308      2.855775
  H      -7.822138     -2.385174      3.559396
  H      -2.522113     -1.141597      9.904074
  H      -2.445440      0.135565      8.665058
  H      -0.949248     -0.715316      9.164938
  H      -2.039619     -1.437480      6.980301
  H      -2.105088     -3.510250      9.060402
  H      -0.601880     -2.983571      8.299945
  H      -1.947406     -3.394214      6.037015
  H      -1.015889     -4.666014      6.811741
  H      -1.959467     -6.685708      7.540094
  H      -3.698773     -6.964414      7.448246
  H      -3.076393     -7.012952      9.742985
  H      -2.084506     -5.563892      9.633005
  H      -4.770860     -5.624006     10.532621
  H      -3.906516     -4.165487     10.039519
  H      -6.040975     -4.330006      8.803061
  H      -5.602937     -5.921262      8.188506
  H      -4.253285     -3.224079      7.591489
  H      -5.145632     -4.246327      6.478034
  N      -4.789743     -2.807005      4.717937
  N      -5.060384     -1.801404      5.208694
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.498564057436
  N      -3.441307     -3.818644      2.176974
  C      -3.298730     -4.841645      1.147819
  C      -2.816371     -6.135312      1.786318
  N      -3.716401     -6.465443      2.915719
  C      -4.968109     -7.112593      2.447356
  C      -6.104687     -6.677922      3.351181
  N      -6.099678     -5.213340      3.433034
  Mo     -4.287550     -4.505158      3.872575
  N      -3.325734     -5.367450      5.429157
  C      -2.328954     -6.321272      4.918878
  C      -3.025023     -7.267205      3.956480
  H      -1.876958     -6.929309      5.717027
  H      -1.482286     -5.815903      4.410261
  H      -3.787714     -7.831005      4.513722
  H      -2.327794     -7.986448      3.489115
  H      -7.048130     -7.076635      2.952099
  H      -5.986734     -7.149989      4.348865
  H      -5.171508     -6.768502      1.422671
  H      -4.850182     -8.210655      2.428510
  H      -2.583430     -4.565160      0.363266
  H      -4.267193     -5.020838      0.637352
  H      -1.804800     -5.976703      2.190513
  H      -2.779183     -6.973042      1.064223
  C       1.109500     -1.337254      3.055842
  N      -0.170911     -0.640995      3.153266
  C      -1.151178     -1.338478      3.990112
  C      -1.717093     -2.624833      3.384558
  C      -2.614700     -2.574605      2.116382
  C      -1.699319     -2.455158      0.871254
  C      -2.398607     -2.157200     -0.464764
  C      -3.363491     -0.971211     -0.359652
  C      -4.318497     -1.171956      0.817500
  C      -3.531344     -1.329525      2.118542
  C      -9.900535     -6.463898      6.105396
  N      -8.495394     -6.694895      5.773140
  C      -7.634079     -5.531989      6.018761
  C      -7.808774     -4.351635      5.064955
  C      -7.429204     -4.540863      3.571348
  C      -8.560214     -5.309381      2.849018
  C      -8.346004     -5.487831      1.336272
  C      -7.671200     -4.262397      0.695714
  C      -7.967717     -3.014415      1.519843
  C      -7.352533     -3.125064      2.917594
  C      -2.005884     -0.815223      8.972790
  N      -2.296288     -1.768797      7.904097
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  C      -1.916675     -4.020627      6.920293
  C      -3.158454     -4.957026      6.861661
  C      -2.934903     -6.206057      7.754376
  C      -3.017325     -5.972939      9.271515
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  C      -5.180117     -4.937319      8.507938
  C      -4.470146     -4.261902      7.328618
  H       1.509751     -1.667977      4.042387
  H       1.851837     -0.674942      2.582590
  H       1.007920     -2.231659      2.419788
  H      -0.010771      0.287131      3.548106
  H      -0.713886     -1.613702      4.981407
  H      -1.977501     -0.641439      4.195569
  H      -0.899070     -3.340582      3.187363
  H      -2.325935     -3.092890      4.174047
  H      -1.054867     -3.347470      0.785799
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  H      -1.629283     -1.962316     -1.231806
  H      -2.971817     -3.031804     -0.818769
  H      -3.919118     -0.851804     -1.304411
  H      -2.791041     -0.038089     -0.201176
  H      -5.008630     -0.316983      0.905726
  H      -4.941049     -2.067665      0.650535
  H      -4.213144     -1.358426      2.977326
  H      -2.892748     -0.437378      2.243204
  H     -10.050384     -6.006791      7.101070
  H     -10.358170     -5.797991      5.365703
  H     -10.449262     -7.414758      6.079304
  H      -8.145352     -7.461299      6.351103
  H      -7.782258     -5.139936      7.048468
  H      -6.588355     -5.876449      5.962278
  H      -7.179774     -3.544391      5.463852
  H      -8.845882     -3.973477      5.110292
  H      -8.756765     -6.268389      3.345624
  H      -9.467408     -4.704904      3.004874
  H      -9.328981     -5.663053      0.869382
  H      -7.749398     -6.387940      1.128854
  H      -8.004669     -4.140665     -0.344367
  H      -6.579669     -4.407630      0.667749
  H      -9.059696     -2.874074      1.583275
  H      -7.568523     -2.117010      1.024883
  H      -6.293333     -2.852950      2.858231
  H      -7.826716     -2.391293      3.582895
  H      -2.525371     -1.120157      9.893691
  H      -2.376241      0.188761      8.693898
  H      -0.919114     -0.733629      9.218405
  H      -1.972095     -1.395706      7.015593
  H      -2.124209     -3.503464      9.046722
  H      -0.596782     -3.008316      8.312012
  H      -1.955063     -3.377983      6.024699
  H      -1.021989     -4.657052      6.794462
  H      -1.958256     -6.656276      7.543636
  H      -3.692954     -6.947767      7.463669
  H      -3.054285     -6.956704      9.759484
  H      -2.091524     -5.505091      9.621305
  H      -4.761005     -5.598796     10.540816
  H      -3.913300     -4.137119     10.040273
  H      -6.041722     -4.321953      8.804732
  H      -5.596459     -5.910771      8.197677
  H      -4.258599     -3.212309      7.580944
  H      -5.153938     -4.241386      6.473699
  N      -4.795656     -2.807245      4.710888
  N      -5.067405     -1.803367      5.202428
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.498027193285
  N      -3.450314     -3.813674      2.194923
  C      -3.313556     -4.831762      1.159069
  C      -2.825749     -6.127559      1.788954
  N      -3.716028     -6.461754      2.924004
  C      -4.965083     -7.116506      2.462527
  C      -6.096583     -6.685309      3.370045
  N      -6.097639     -5.220531      3.443612
  Mo     -4.286352     -4.510560      3.889410
  N      -3.314060     -5.373760      5.438809
  C      -2.317438     -6.320260      4.916901
  C      -3.015334     -7.264272      3.955938
  H      -1.858777     -6.930736      5.707426
  H      -1.476837     -5.809219      4.406722
  H      -3.771894     -7.831992      4.515514
  H      -2.320194     -7.979497      3.480878
  H      -7.036591     -7.091155      2.976617
  H      -5.972602     -7.150685      4.366717
  H      -5.174956     -6.775393      1.441065
  H      -4.840702     -8.213216      2.443443
  H      -2.601394     -4.550586      0.374695
  H      -4.281933     -5.009069      0.649540
  H      -1.813588     -5.967762      2.187748
  H      -2.792015     -6.964191      1.064514
  C       1.084822     -1.306596      3.062383
  N      -0.197594     -0.614012      3.151035
  C      -1.177260     -1.312400      3.986928
  C      -1.732735     -2.603650      3.386964
  C      -2.633416     -2.565165      2.123183
  C      -1.722844     -2.451337      0.875651
  C      -2.422092     -2.155880     -0.458537
  C      -3.385240     -0.972560     -0.353635
  C      -4.339138     -1.173142      0.822303
  C      -3.552630     -1.323385      2.121553
  C      -9.944863     -6.350976      6.059223
  N      -8.547156     -6.635884      5.763685
  C      -7.670080     -5.493428      6.016605
  C      -7.818271     -4.328184      5.044400
  C      -7.427265     -4.545243      3.558038
  C      -8.555457     -5.321722      2.835255
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  C      -7.628103     -4.322857      0.669744
  C      -7.932137     -3.051575      1.463614
  C      -7.343936     -3.136508      2.882407
  C      -2.003972     -0.865186      8.977143
  N      -2.290068     -1.812139      7.922708
  C      -1.661087     -3.106258      8.129210
  C      -1.893675     -4.031479      6.927545
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  C      -4.181161     -5.141537      9.718468
  C      -5.147579     -4.948470      8.550575
  C      -4.448531     -4.275150      7.360634
  H       1.477565     -1.640751      4.054992
  H       1.830457     -0.637298      2.596771
  H       0.990107     -2.201967      2.419713
  H      -0.042191      0.316892      3.542942
  H      -0.741880     -1.580671      4.979326
  H      -2.006685     -0.619087      4.186897
  H      -0.908852     -3.311846      3.190288
  H      -2.337249     -3.076483      4.174902
  H      -1.081226     -3.343744      0.791696
  H      -1.047137     -1.612918      1.104810
  H      -1.654589     -1.961603     -1.225363
  H      -2.993531     -3.028511     -0.810444
  H      -3.939069     -0.854021     -1.296388
  H      -2.814752     -0.042570     -0.196213
  H      -5.033599     -0.322548      0.907814
  H      -4.954694     -2.072305      0.658519
  H      -4.232579     -1.350868      2.978303
  H      -2.918177     -0.430397      2.241426
  H     -10.111140     -5.864151      7.056461
  H     -10.365153     -5.686251      5.293074
  H     -10.509027     -7.283143      6.027759
  H      -8.231090     -7.401690      6.362265
  H      -7.823422     -5.081237      7.042610
  H      -6.635237     -5.858687      5.979075
  H      -7.186459     -3.518977      5.441231
  H      -8.847869     -3.939423      5.071569
  H      -8.765238     -6.272196      3.347773
  H      -9.459556     -4.705570      2.970253
  H      -9.307984     -5.699238      0.851121
  H      -7.742642     -6.446305      1.139626
  H      -7.940512     -4.219264     -0.382431
  H      -6.537559     -4.479570      0.666223
  H      -9.025890     -2.901880      1.503889
  H      -7.519471     -2.164759      0.955028
  H      -6.281908     -2.860866      2.846050
  H      -7.839196     -2.392299      3.527387
  H      -2.487208     -1.188871      9.910141
  H      -2.407451      0.109682      8.702102
  H      -0.928387     -0.745861      9.196247
  H      -1.993639     -1.429574      7.024432
  H      -2.071370     -3.529275      9.055845
  H      -0.566797     -3.001754      8.300281
  H      -1.942105     -3.386780      6.040699
  H      -1.000016     -4.659466      6.789055
  H      -1.928800     -6.683387      7.526217
  H      -3.675565     -6.967069      7.464445
  H      -3.013159     -6.992497      9.751739
  H      -2.026181     -5.545427      9.624558
  H      -4.698918     -5.602400     10.578680
  H      -3.839521     -4.144136     10.063080
  H      -6.006346     -4.328209      8.863865
  H      -5.573551     -5.925653      8.243553
  H      -4.232178     -3.222484      7.613272
  H      -5.147341     -4.258554      6.514679
  N      -4.796398     -2.830861      4.737151
  N      -5.099551     -1.852844      5.242501
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.499004435333
  N      -3.444574     -3.813187      2.186795
  C      -3.308669     -4.836028      1.156221
  C      -2.824766     -6.130313      1.790913
  N      -3.717345     -6.458852      2.925018
  C      -4.969710     -7.107729      2.465423
  C      -6.099111     -6.672747      3.375685
  N      -6.096754     -5.207729      3.452848
  Mo     -4.283871     -4.499396      3.883246
  N      -3.315319     -5.363338      5.435445
  C      -2.320816     -6.316746      4.920757
  C      -3.020182     -7.260826      3.960212
  H      -1.868437     -6.927072      5.716153
  H      -1.474718     -5.811760      4.412014
  H      -3.779406     -7.825495      4.519478
  H      -2.325747     -7.979236      3.488230
  H      -7.041812     -7.073982      2.984107
  H      -5.974641     -7.140649      4.371806
  H      -5.179658     -6.764138      1.444069
  H      -4.849835     -8.205526      2.445492
  H      -2.596131     -4.560690      0.370955
  H      -4.277609     -5.011836      0.648490
  H      -1.812497     -5.972419      2.189629
  H      -2.791947     -6.968821      1.069591
  C       1.093978     -1.291908      3.033629
  N      -0.195718     -0.615278      3.131165
  C      -1.159957     -1.315802      3.980830
  C      -1.719969     -2.609715      3.385916
  C      -2.618243     -2.569657      2.117981
  C      -1.703887     -2.461242      0.871952
  C      -2.401822     -2.170603     -0.465665
  C      -3.359852     -0.981277     -0.369084
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  C      -3.531341     -1.323279      2.110708
  C      -9.920773     -6.421213      6.112081
  N      -8.523204     -6.667813      5.772840
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  C      -2.012173     -0.824217      8.959681
  N      -2.301189     -1.790649      7.907328
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  C      -2.932235     -6.232320      7.747185
  C      -3.019343     -6.025695      9.266434
  C      -4.238617     -5.172857      9.686458
  C      -5.178963     -4.957782      8.503849
  C      -4.462408     -4.270727      7.340591
  H       1.511300     -1.585708      4.015261
  H       1.813635     -0.636149      2.534853
  H       1.004356     -2.201803      2.427603
  H      -0.049825      0.320457      3.510401
  H      -0.712299     -1.581811      4.968250
  H      -1.989090     -0.624344      4.188741
  H      -0.899277     -3.323047      3.192585
  H      -2.326285     -3.075827      4.178789
  H      -1.062667     -3.355455      0.793422
  H      -1.026756     -1.622047      1.099487
  H      -1.633536     -1.984628     -1.233991
  H      -2.977695     -3.043769     -0.812076
  H      -3.913070     -0.864517     -1.314829
  H      -2.784038     -0.051455     -0.215778
  H      -5.003331     -0.314838      0.890045
  H      -4.939541     -2.065681      0.646768
  H      -4.213439     -1.345247      2.968270
  H      -2.891540     -0.432711      2.230632
  H     -10.055865     -5.953373      7.110490
  H     -10.381085     -5.753592      5.362590
  H     -10.477885     -7.374644      6.098394
  H      -8.183129     -7.438857      6.348107
  H      -7.790640     -5.126124      7.050245
  H      -6.609326     -5.873012      5.959943
  H      -7.184185     -3.530037      5.469200
  H      -8.848497     -3.954207      5.105954
  H      -8.756444     -6.262311      3.358013
  H      -9.459414     -4.696954      2.994349
  H      -9.306105     -5.673928      0.867536
  H      -7.735676     -6.412826      1.148166
  H      -7.951850     -4.177104     -0.354522
  H      -6.544687     -4.439284      0.686837
  H      -9.036853     -2.881166      1.546504
  H      -7.536394     -2.133129      0.998509
  H      -6.283425     -2.845899      2.870760
  H      -7.835060     -2.380030      3.567569
  H      -2.521083     -1.127301      9.890198
  H      -2.394531      0.167026      8.672501
  H      -0.928193     -0.723646      9.191123
  H      -1.986816     -1.424475      7.000403
  H      -2.116915     -3.508324      9.060744
  H      -0.594041     -3.002719      8.323157
  H      -1.933411     -3.392127      6.049807
  H      -1.013776     -4.668835      6.823414
  H      -1.953697     -6.687934      7.535844
  H      -3.695716     -6.967003      7.439710
  H      -3.071335     -7.025138      9.735318
  H      -2.082708     -5.574274      9.636013
  H      -4.769389     -5.647934     10.522838
  H      -3.909386     -4.186182     10.049226
  H      -6.041777     -4.342007      8.802724
  H      -5.595464     -5.926119      8.179381
  H      -4.250003     -3.226063      7.607069
  H      -5.144852     -4.235700      6.485119
  N      -4.783188     -2.801725      4.720925
  N      -5.057922     -1.800223      5.214733
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.498933478674
  N      -3.436674     -3.821464      2.182895
  C      -3.290150     -4.840413      1.150124
  C      -2.815784     -6.136943      1.788522
  N      -3.722573     -6.466023      2.913724
  C      -4.973661     -7.109260      2.435643
  C      -6.112502     -6.677781      3.337165
  N      -6.104047     -5.213304      3.424678
  Mo     -4.289681     -4.511135      3.873949
  N      -3.331617     -5.377213      5.431696
  C      -2.339082     -6.335285      4.919778
  C      -3.038031     -7.274879      3.954123
  H      -1.892418     -6.949171      5.716138
  H      -1.488380     -5.833389      4.414916
  H      -3.805313     -7.835551      4.508281
  H      -2.344326     -7.996934      3.486217
  H      -7.054931     -7.073008      2.931902
  H      -6.000336     -7.154569      4.333327
  H      -5.171606     -6.757668      1.412437
  H      -4.856850     -8.207110      2.410184
  H      -2.565302     -4.562281      0.374568
  H      -4.253685     -5.014205      0.628049
  H      -1.806028     -5.981796      2.198853
  H      -2.777909     -6.973988      1.065554
  C       1.089504     -1.289323      3.097195
  N      -0.201650     -0.609847      3.165222
  C      -1.185801     -1.308162      3.996903
  C      -1.732224     -2.603736      3.393243
  C      -2.621554     -2.571085      2.118880
  C      -1.698374     -2.454464      0.880660
  C      -2.390949     -2.179175     -0.463762
  C      -3.373949     -1.004299     -0.378889
  C      -4.333144     -1.204864      0.794153
  C      -3.551977     -1.335542      2.102210
  C      -9.905348     -6.426709      6.139389
  N      -8.513330     -6.668836      5.783625
  C      -7.637545     -5.514615      6.013327
  C      -7.810855     -4.338705      5.050852
  C      -7.431054     -4.535731      3.556797
  C      -8.564904     -5.300230      2.833592
  C      -8.346292     -5.488676      1.321883
  C      -7.644105     -4.277164      0.679173
  C      -7.938774     -3.017511      1.488270
  C      -7.344068     -3.122573      2.897477
  C      -1.971479     -0.859464      9.000188
  N      -2.301723     -1.797721      7.929080
  C      -1.672222     -3.105948      8.116491
  C      -1.919617     -4.022840      6.906437
  C      -3.156912     -4.964204      6.863295
  C      -2.923502     -6.210460      7.756527
  C      -2.999716     -5.977947      9.274879
  C      -4.211992     -5.123952      9.701184
  C      -5.166516     -4.941045      8.526182
  C      -4.466440     -4.270729      7.337612
  H       1.481897     -1.592015      4.092838
  H       1.828682     -0.629610      2.618443
  H       1.007972     -2.196570      2.481286
  H      -0.059964      0.325447      3.547019
  H      -0.756485     -1.572138      4.996009
  H      -2.021337     -0.616271      4.187729
  H      -0.904406     -3.311501      3.206297
  H      -2.342817     -3.074944      4.177076
  H      -1.042953     -3.341178      0.810229
  H      -1.035137     -1.603683      1.111497
  H      -1.617853     -1.981137     -1.225247
  H      -2.948500     -3.066385     -0.814548
  H      -3.925802     -0.903640     -1.329136
  H      -2.815885     -0.059992     -0.226876
  H      -5.038233     -0.359760      0.867075
  H      -4.939445     -2.113528      0.634052
  H      -4.238612     -1.364394      2.955884
  H      -2.925584     -0.433740      2.220875
  H     -10.031244     -5.968128      7.137617
  H     -10.365933     -5.758479      5.401255
  H     -10.465494     -7.373235      6.128817
  H      -8.166296     -7.437671      6.360017
  H      -7.770756     -5.117940      7.043897
  H      -6.598260     -5.866967      5.949362
  H      -7.178950     -3.529789      5.445812
  H      -8.847101     -3.959533      5.094640
  H      -8.771013     -6.255746      3.334405
  H      -9.467483     -4.686741      2.982715
  H      -9.331050     -5.645377      0.851307
  H      -7.767162     -6.402601      1.119698
  H      -7.959510     -4.159752     -0.367893
  H      -6.553374     -4.437908      0.669825
  H      -9.031148     -2.865841      1.536604
  H      -7.524458     -2.127243      0.989294
  H      -6.283217     -2.852162      2.853927
  H      -7.829011     -2.386281      3.553310
  H      -2.439387     -1.180059      9.945359
  H      -2.370794      0.133151      8.748066
  H      -0.874975     -0.766450      9.197732
  H      -2.013709     -1.415011      7.026503
  H      -2.071454     -3.533820      9.050674
  H      -0.573713     -3.011821      8.276338
  H      -1.985125     -3.370634      6.018615
  H      -1.022655     -4.651239      6.750911
  H      -1.946009     -6.657283      7.541107
  H      -3.680309     -6.955174      7.469086
  H      -3.044865     -6.963279      9.759237
  H      -2.067226     -5.519256      9.624210
  H      -4.730025     -5.580845     10.563366
  H      -3.878344     -4.126188     10.037215
  H      -6.026592     -4.325086      8.828123
  H      -5.583782     -5.918198      8.224348
  H      -4.255100     -3.219334      7.585254
  H      -5.156234     -4.257145      6.487853
  N      -4.797239     -2.816741      4.714561
  N      -5.072124     -1.816162      5.209381
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.499148351316
  N      -3.432975     -3.827038      2.185811
  C      -3.287511     -4.847821      1.154732
  C      -2.814759     -6.144158      1.793906
  N      -3.718862     -6.470378      2.920663
  C      -4.971183     -7.112942      2.449062
  C      -6.105741     -6.678741      3.354528
  N      -6.097608     -5.214226      3.439658
  Mo     -4.282932     -4.512062      3.877173
  N      -3.321633     -5.375744      5.434024
  C      -2.331319     -6.336264      4.923989
  C      -3.032542     -7.276711      3.960768
  H      -1.886095     -6.949475      5.721629
  H      -1.479509     -5.837423      4.418164
  H      -3.798571     -7.836051      4.517111
  H      -2.340017     -8.000114      3.493110
  H      -7.049092     -7.074226      2.954296
  H      -5.989214     -7.153531      4.350139
  H      -5.173078     -6.762648      1.427000
  H      -4.855229     -8.211093      2.424639
  H      -2.562814     -4.572926      0.379125
  H      -4.250800     -5.020480      0.633439
  H      -1.804611     -5.990060      2.201742
  H      -2.778942     -6.982130      1.072061
  C       1.086690     -1.281076      3.065562
  N      -0.205384     -0.605696      3.147162
  C      -1.178036     -1.307766      3.987482
  C      -1.727863     -2.604786      3.390163
  C      -2.621414     -2.572902      2.118894
  C      -1.701954     -2.450246      0.877429
  C      -2.396710     -2.166020     -0.463530
  C      -3.376958     -0.991580     -0.369312
  C      -4.335485     -1.199250      0.803255
  C      -3.553299     -1.338741      2.108877
  C      -9.916369     -6.414819      6.085605
  N      -8.513947     -6.668244      5.764877
  C      -7.644848     -5.517261      6.017867
  C      -7.807612     -4.340141      5.063920
  C      -7.424990     -4.537129      3.572272
  C      -8.557709     -5.304369      2.850545
  C      -8.341828     -5.492543      1.338154
  C      -7.644669     -4.280095      0.694821
  C      -7.942040     -3.021116      1.504557
  C      -7.342709     -3.123772      2.912344
  C      -1.973488     -0.845135      8.979023
  N      -2.290433     -1.795743      7.919227
  C      -1.672041     -3.105252      8.122883
  C      -1.909517     -4.028396      6.919371
  C      -3.150814     -4.965575      6.866837
  C      -2.927152     -6.218023      7.756664
  C      -3.013055     -5.994948      9.275132
  C      -4.227018     -5.138114      9.694243
  C      -5.172780     -4.941390      8.513654
  C      -4.461481     -4.267244      7.335567
  H       1.490318     -1.582633      4.056685
  H       1.816413     -0.618067      2.580101
  H       1.003623     -2.189432      2.450148
  H      -0.064041      0.330644      3.527954
  H      -0.738653     -1.570951      4.980602
  H      -2.012244     -0.618572      4.186616
  H      -0.901469     -3.312853      3.200781
  H      -2.334566     -3.074558      4.180213
  H      -1.047674     -3.336137      0.800667
  H      -1.037284     -1.601715      1.110506
  H      -1.625049     -1.964391     -1.226105
  H      -2.956427     -3.049188     -0.817456
  H      -3.928830     -0.882999     -1.317354
  H      -2.817028     -0.050606     -0.212047
  H      -5.039069     -0.354352      0.882495
  H      -4.943524     -2.105096      0.638276
  H      -4.239430     -1.371576      2.963412
  H      -2.926818     -0.437854      2.231432
  H     -10.069616     -5.943503      7.083656
  H     -10.364462     -5.749125      5.334418
  H     -10.469784     -7.361776      6.059376
  H      -8.177569     -7.437093      6.346427
  H      -7.794159     -5.122036      7.047558
  H      -6.604470     -5.871985      5.964833
  H      -7.178014     -3.535367      5.463925
  H      -8.840949     -3.957459      5.105495
  H      -8.760822     -6.260186      3.352229
  H      -9.461606     -4.693028      3.001260
  H      -9.326782     -5.650782      0.869308
  H      -7.761486     -6.405034      1.134039
  H      -7.961491     -4.164597     -0.352151
  H      -6.554341     -4.437662      0.684823
  H      -9.034519     -2.873226      1.555357
  H      -7.532558     -2.129781      1.005154
  H      -6.282062     -2.851347      2.865694
  H      -7.826949     -2.386626      3.569206
  H      -2.455957     -1.157701      9.921112
  H      -2.364200      0.146638      8.712688
  H      -0.882485     -0.749067      9.184778
  H      -1.991189     -1.420161      7.015522
  H      -2.085338     -3.526406      9.052359
  H      -0.575674     -3.013922      8.293569
  H      -1.960047     -3.379547      6.031523
  H      -1.016137     -4.660234      6.777138
  H      -1.948686     -6.668666      7.546830
  H      -3.685719     -6.958955      7.459776
  H      -3.065749     -6.985702      9.754238
  H      -2.079121     -5.541889      9.635505
  H      -4.753153     -5.600048     10.545742
  H      -3.893802     -4.145311     10.039922
  H      -6.033719     -4.323081      8.811501
  H      -5.591198     -5.914956      8.203428
  H      -4.247316     -3.218426      7.589992
  H      -5.146613     -4.243878      6.481791
  N      -4.783072     -2.812236      4.715129
  N      -5.050471     -1.807817      5.207454
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.499054061077
  N      -3.441282     -3.814407      2.186769
  C      -3.299983     -4.834516      1.154281
  C      -2.825029     -6.131733      1.789414
  N      -3.724685     -6.460424      2.917948
  C      -4.976765     -7.104445      2.450456
  C      -6.106296     -6.674659      3.362566
  N      -6.103217     -5.210550      3.447385
  Mo     -4.288660     -4.504629      3.877809
  N      -3.325418     -5.371324      5.432234
  C      -2.335048     -6.328683      4.918900
  C      -3.035522     -7.267446      3.954254
  H      -1.888419     -6.942944      5.714390
  H      -1.484409     -5.827377      4.414055
  H      -3.799590     -7.829651      4.509825
  H      -2.343047     -7.988224      3.483197
  H      -7.048761     -7.073493      2.967966
  H      -5.982436     -7.147475      4.356429
  H      -5.184194     -6.751684      1.431692
  H      -4.858100     -8.201973      2.421704
  H      -2.577115     -4.558746      0.378190
  H      -4.263718     -5.004774      0.634183
  H      -1.814888     -5.976930      2.195319
  H      -2.790083     -6.969113      1.066602
  C       1.080227     -1.268855      3.061286
  N      -0.214658     -0.600048      3.142375
  C      -1.181535     -1.302356      3.988306
  C      -1.731947     -2.600187      3.393936
  C      -2.619840     -2.568543      2.119594
  C      -1.695523     -2.464457      0.880712
  C      -2.380925     -2.180026     -0.464122
  C      -3.340315     -0.992829     -0.379562
  C      -4.307082     -1.180623      0.788706
  C      -3.536387     -1.325428      2.099171
  C      -9.923419     -6.413033      6.147475
  N      -8.536491     -6.663682      5.780098
  C      -7.648636     -5.518632      6.015450
  C      -7.817819     -4.335929      5.059518
  C      -7.432349     -4.534796      3.569257
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  C      -8.336545     -5.504868      1.332639
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  C      -7.349034     -3.122337      2.902684
  C      -1.987161     -0.840123      8.978499
  N      -2.295156     -1.792843      7.922478
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  C      -1.911760     -4.027654      6.924647
  C      -3.152813     -4.967287      6.866816
  C      -2.923390     -6.226998      7.746273
  C      -3.003819     -6.013834      9.266478
  C      -4.220369     -5.159753      9.693323
  C      -5.171225     -4.955944      8.516552
  C      -4.464506     -4.272835      7.343736
  H       1.491744     -1.554485      4.051298
  H       1.801428     -0.609723      2.563231
  H       0.999784     -2.184852      2.459375
  H      -0.078326      0.340042      3.515622
  H      -0.737803     -1.564558      4.978847
  H      -2.014862     -0.614384      4.190633
  H      -0.906663     -3.310540      3.209178
  H      -2.341507     -3.066067      4.184254
  H      -1.053048     -3.357797      0.811791
  H      -1.021996     -1.624018      1.110958
  H      -1.606380     -1.995894     -1.226049
  H      -2.952052     -3.053990     -0.812493
  H      -3.883192     -0.878779     -1.330570
  H      -2.767745     -0.063487     -0.222668
  H      -4.998680     -0.327166      0.860108
  H      -4.925885     -2.077776      0.624800
  H      -4.227241     -1.346361      2.949014
  H      -2.901238     -0.433053      2.222607
  H     -10.035923     -5.963139      7.151911
  H     -10.386079     -5.731297      5.416894
  H     -10.491924     -7.358419      6.132539
  H      -8.194178     -7.442821      6.345245
  H      -7.774129     -5.127592      7.048758
  H      -6.612450     -5.880267      5.945465
  H      -7.187137     -3.524995      5.459232
  H      -8.854089     -3.956058      5.099493
  H      -8.767999     -6.261225      3.350619
  H      -9.465671     -4.693752      2.985751
  H      -9.319090     -5.663326      0.858003
  H      -7.757158     -6.421168      1.136823
  H      -7.940851     -4.186773     -0.366754
  H      -6.543515     -4.453048      0.688544
  H      -9.034733     -2.882333      1.528321
  H      -7.530734     -2.138402      0.983577
  H      -6.285536     -2.849592      2.862566
  H      -7.838140     -2.379949      3.554336
  H      -2.474816     -1.156312      9.913635
  H      -2.377515      0.153046      8.710982
  H      -0.901160     -0.740735      9.189217
  H      -1.992193     -1.417555      7.019567
  H      -2.095779     -3.523918      9.052903
  H      -0.582600     -3.010676      8.301728
  H      -1.958138     -3.378909      6.039693
  H      -1.019020     -4.658404      6.786333
  H      -1.942494     -6.677046      7.530427
  H      -3.684042     -6.968382      7.445463
  H      -3.053888     -7.010508      9.736926
  H      -2.065920     -5.561841      9.630370
  H      -4.744101     -5.629698     10.538140
  H      -3.888273     -4.169364     10.047802
  H      -6.034642     -4.341881      8.819882
  H      -5.586116     -5.928995      8.199569
  H      -4.251362     -3.226186      7.606396
  H      -5.154143     -4.243120      6.492897
  N      -4.787762     -2.813565      4.719679
  N      -5.072714     -1.821726      5.219333
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.499366260955
  N      -3.432194     -3.824406      2.186408
  C      -3.285122     -4.843701      1.153903
  C      -2.816706     -6.141787      1.792632
  N      -3.723737     -6.467844      2.917235
  C      -4.976084     -7.107894      2.441866
  C      -6.110182     -6.676545      3.348758
  N      -6.101707     -5.212298      3.437973
  Mo     -4.285758     -4.511526      3.875563
  N      -3.327012     -5.378172      5.432993
  C      -2.338929     -6.341000      4.923029
  C      -3.041012     -7.277791      3.957011
  H      -1.897196     -6.957196      5.720122
  H      -1.484457     -5.844084      4.419864
  H      -3.809327     -7.836152      4.511150
  H      -2.349856     -8.002099      3.488990
  H      -7.053169     -7.070805      2.947515
  H      -5.993565     -7.153786      4.342794
  H      -5.177074     -6.752505      1.421668
  H      -4.860617     -8.205875      2.412408
  H      -2.555691     -4.568525      0.382874
  H      -4.245829     -5.013022      0.626871
  H      -1.807575     -5.989523      2.203370
  H      -2.780539     -6.979213      1.070051
  C       1.078655     -1.262019      3.079649
  N      -0.217678     -0.593994      3.150780
  C      -1.190445     -1.296349      3.990724
  C      -1.734320     -2.596488      3.394901
  C      -2.621109     -2.571036      2.119000
  C      -1.695420     -2.456462      0.881930
  C      -2.383006     -2.181515     -0.464605
  C      -3.362520     -1.006399     -0.383249
  C      -4.326816     -1.205885      0.785652
  C      -3.552429     -1.337184      2.096710
  C      -9.916897     -6.414598      6.120215
  N      -8.522873     -6.666039      5.772022
  C      -7.643586     -5.518841      6.014757
  C      -7.810753     -4.338626      5.060944
  C      -7.428840     -4.534357      3.568661
  C      -8.561814     -5.300577      2.845576
  C      -8.344502     -5.490368      1.333285
  C      -7.637957     -4.282041      0.691122
  C      -7.937098     -3.019699      1.496295
  C      -7.344399     -3.120779      2.908426
  C      -1.962933     -0.854799      8.991585
  N      -2.293258     -1.798765      7.929909
  C      -1.670019     -3.107848      8.120235
  C      -1.915460     -4.024932      6.912963
  C      -3.153392     -4.966462      6.865373
  C      -2.922802     -6.218053      7.754559
  C      -3.007059     -5.996557      9.273602
  C      -4.220360     -5.139127      9.695385
  C      -5.170473     -4.946851      8.517393
  C      -4.464420     -4.271363      7.337599
  H       1.481987     -1.549409      4.074045
  H       1.805092     -0.600921      2.588267
  H       1.002593     -2.177286      2.475169
  H      -0.083923      0.345882      3.524989
  H      -0.752745     -1.555843      4.985835
  H      -2.027339     -0.609228      4.185857
  H      -0.905333     -3.303404      3.212029
  H      -2.343376     -3.064794      4.183193
  H      -1.040989     -3.342872      0.814782
  H      -1.032482     -1.606491      1.113288
  H      -1.608082     -1.985617     -1.224392
  H      -2.940911     -3.066310     -0.815220
  H      -3.908916     -0.903442     -1.335170
  H      -2.803350     -0.065218     -0.228669
  H      -5.030921     -0.360943      0.855385
  H      -4.933601     -2.112864      0.623451
  H      -4.243303     -1.365180      2.947114
  H      -2.927222     -0.435838      2.217795
  H     -10.046864     -5.954063      7.122108
  H     -10.374660     -5.741197      5.380264
  H     -10.477842     -7.361183      6.101410
  H      -8.182265     -7.440206      6.343733
  H      -7.779137     -5.126704      7.046796
  H      -6.605631     -5.876973      5.950728
  H      -7.179976     -3.532181      5.460361
  H      -8.845530     -3.957557      5.104222
  H      -8.767531     -6.255826      3.347906
  H      -9.464759     -4.687026      2.994613
  H      -9.329951     -5.640987      0.862604
  H      -7.770651     -6.407619      1.129674
  H      -7.946886     -4.167986     -0.358982
  H      -6.547976     -4.444166      0.689801
  H      -9.030055     -2.869672      1.541355
  H      -7.523845     -2.129752      0.996505
  H      -6.282487     -2.848373      2.867120
  H      -7.832384     -2.382934      3.563135
  H      -2.432413     -1.174311      9.935988
  H      -2.358328      0.139055      8.737347
  H      -0.869440     -0.760322      9.184508
  H      -2.003259     -1.418985      7.024591
  H      -2.074080     -3.534708      9.050873
  H      -0.572300     -3.014726      8.282487
  H      -1.976129     -3.371509      6.029502
  H      -1.021036     -4.652728      6.759455
  H      -1.942352     -6.665014      7.542719
  H      -3.679315     -6.962220      7.458181
  H      -3.060434     -6.988420      9.750291
  H      -2.071650     -5.545044      9.634740
  H      -4.743329     -5.599564     10.549481
  H      -3.886458     -4.144756     10.037877
  H      -6.032766     -4.331420      8.817096
  H      -5.585684     -5.922313      8.208744
  H      -4.252072     -3.222416      7.592519
  H      -5.151953     -4.249496      6.485761
  N      -4.785243     -2.814896      4.716320
  N      -5.056171     -1.814191      5.211818
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.499433487942
  N      -3.426171     -3.830288      2.186341
  C      -3.275860     -4.849226      1.154026
  C      -2.813660     -6.148553      1.794608
  N      -3.725096     -6.472483      2.916311
  C      -4.978109     -7.108722      2.437441
  C      -6.112551     -6.677477      3.344423
  N      -6.101655     -5.213449      3.436980
  Mo     -4.284157     -4.515799      3.873300
  N      -3.328631     -5.383354      5.432479
  C      -2.343475     -6.350247      4.924818
  C      -3.047190     -7.284605      3.957621
  H      -1.906146     -6.968350      5.722942
  H      -1.485685     -5.857058      4.423491
  H      -3.818514     -7.840226      4.510448
  H      -2.357634     -8.011426      3.491035
  H      -7.056124     -7.068968      2.941272
  H      -5.997619     -7.157398      4.337745
  H      -5.176971     -6.749283      1.417958
  H      -4.864729     -8.206890      2.404813
  H      -2.540819     -4.575450      0.387826
  H      -4.233751     -5.015762      0.620882
  H      -1.805437     -5.998880      2.208877
  H      -2.777200     -6.986017      1.072210
  C       1.073724     -1.247751      3.086567
  N      -0.225876     -0.585590      3.151630
  C      -1.197719     -1.289834      3.991124
  C      -1.736790     -2.592763      3.396710
  C      -2.621164     -2.572218      2.119115
  C      -1.692788     -2.452018      0.884355
  C      -2.378135     -2.179972     -0.463847
  C      -3.365555     -1.010613     -0.384335
  C      -4.331966     -1.216764      0.781725
  C      -3.560060     -1.343672      2.094672
  C      -9.917201     -6.407142      6.115328
  N      -8.522749     -6.662739      5.770089
  C      -7.642383     -5.516691      6.015314
  C      -7.808044     -4.336571      5.061474
  C      -7.427730     -4.533666      3.568785
  C      -8.563134     -5.298314      2.847663
  C      -8.349834     -5.488034      1.334633
  C      -7.637610     -4.283280      0.692313
  C      -7.933738     -3.019337      1.495980
  C      -7.341567     -3.120751      2.907879
  C      -1.949977     -0.860944      8.996782
  N      -2.291685     -1.801675      7.934988
  C      -1.666778     -3.111704      8.116805
  C      -1.918306     -4.024370      6.907273
  C      -3.154054     -4.967991      6.864017
  C      -2.919993     -6.216386      7.756385
  C      -3.006182     -5.992835      9.275281
  C      -4.218623     -5.134617      9.695739
  C      -5.169822     -4.947120      8.518056
  C      -4.465250     -4.273495      7.335901
  H       1.476458     -1.528280      4.083481
  H       1.798198     -0.585553      2.593138
  H       1.002916     -2.166608      2.486650
  H      -0.097719      0.356264      3.522770
  H      -0.760432     -1.546557      4.987226
  H      -2.037183     -0.605150      4.184214
  H      -0.905598     -3.297786      3.216689
  H      -2.346012     -3.061099      4.185229
  H      -1.032957     -3.334746      0.818864
  H      -1.035235     -1.598213      1.117956
  H      -1.601713     -1.978534     -1.221154
  H      -2.929713     -3.068390     -0.816867
  H      -3.910259     -0.910312     -1.337481
  H      -2.812306     -0.065711     -0.227816
  H      -5.041862     -0.376247      0.849790
  H      -4.932835     -2.127517      0.617595
  H      -4.253405     -1.376400      2.943023
  H      -2.940498     -0.438334      2.217830
  H     -10.049727     -5.948060      7.118485
  H     -10.371086     -5.731098      5.377309
  H     -10.479205     -7.350703      6.091133
  H      -8.183730     -7.438247      6.342126
  H      -7.778639     -5.123669      7.047402
  H      -6.604673     -5.876610      5.952452
  H      -7.176630     -3.530379      5.460338
  H      -8.842228     -3.954719      5.105111
  H      -8.769424     -6.253186      3.350530
  H      -9.464737     -4.683453      2.998867
  H      -9.337267     -5.631881      0.865897
  H      -7.782251     -6.408533      1.128290
  H      -7.944070     -4.169479     -0.358358
  H      -6.548205     -4.449388      0.693427
  H      -9.026236     -2.866954      1.540939
  H      -7.518247     -2.130783      0.995467
  H      -6.280049     -2.850073      2.866093
  H      -7.828138     -2.382368      3.562126
  H      -2.408292     -1.183600      9.946890
  H      -2.349229      0.132623      8.750178
  H      -0.853930     -0.766127      9.176942
  H      -2.007701     -1.419831      7.028651
  H      -2.065132     -3.542151      9.048520
  H      -0.568175     -3.018732      8.273118
  H      -1.985867     -3.367621      6.026489
  H      -1.023562     -4.650037      6.745613
  H      -1.938227     -6.659830      7.545850
  H      -3.673327     -6.963539      7.461101
  H      -3.060857     -6.983511      9.753054
  H      -2.071643     -5.541893      9.636593
  H      -4.740274     -5.591917     10.552857
  H      -3.884406     -4.138856     10.033795
  H      -6.032637     -4.332158      8.817000
  H      -5.583842     -5.924120      8.212417
  H      -4.253352     -3.223917      7.589083
  H      -5.153124     -4.253594      6.484333
  N      -4.780445     -2.816563      4.713045
  N      -5.046095     -1.813034      5.207300
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.499535906277
  N      -3.410045     -3.843327      2.187900
  C      -3.251091     -4.859880      1.154783
  C      -2.807137     -6.163061      1.798935
  N      -3.730841     -6.480750      2.912060
  C      -4.985267     -7.105485      2.421492
  C      -6.119399     -6.677457      3.330465
  N      -6.102258     -5.214363      3.435973
  Mo     -4.280769     -4.524767      3.867539
  N      -3.334044     -5.396045      5.430560
  C      -2.358754     -6.375779      4.929067
  C      -3.067524     -7.300949      3.956664
  H      -1.936079     -7.001153      5.729402
  H      -1.490197     -5.894266      4.434863
  H      -3.847918     -7.848664      4.504565
  H      -2.383480     -8.034940      3.493110
  H      -7.064284     -7.060710      2.922128
  H      -6.007941     -7.166782      4.319917
  H      -5.178723     -6.731268      1.405985
  H      -4.877123     -8.203808      2.375996
  H      -2.498586     -4.589455      0.404635
  H      -4.199404     -5.016577      0.602342
  H      -1.802065     -6.021416      2.223209
  H      -2.770304     -7.000414      1.076643
  C       1.051449     -1.191257      3.120807
  N      -0.259010     -0.548638      3.158078
  C      -1.231936     -1.257625      3.992848
  C      -1.750928     -2.571818      3.404109
  C      -2.622050     -2.574408      2.116648
  C      -1.681052     -2.453848      0.891327
  C      -2.353852     -2.206494     -0.468487
  C      -3.361093     -1.051504     -0.413851
  C      -4.337713     -1.260366      0.743260
  C      -3.579840     -1.360395      2.067533
  C      -9.923184     -6.399272      6.106950
  N      -8.529232     -6.664231      5.759180
  C      -7.641926     -5.527971      6.013377
  C      -7.801705     -4.342086      5.071047
  C      -7.425674     -4.530730      3.576289
  C      -8.565979     -5.285539      2.854403
  C      -8.361741     -5.462697      1.339552
  C      -7.629802     -4.266527      0.708860
  C      -7.922389     -3.005228      1.513588
  C      -7.336930     -3.115168      2.925353
  C      -1.901791     -0.886695      9.021094
  N      -2.283992     -1.811050      7.957829
  C      -1.651268     -3.122884      8.105275
  C      -1.927208     -4.017630      6.886734
  C      -3.155162     -4.969117      6.859383
  C      -2.910102     -6.208770      7.760801
  C      -3.006086     -5.983681      9.279389
  C      -4.215616     -5.120622      9.693376
  C      -5.168866     -4.945888      8.515931
  C      -4.466916     -4.276077      7.329965
  H       1.447068     -1.448072      4.129074
  H       1.772867     -0.525914      2.622879
  H       1.000109     -2.122746      2.536739
  H      -0.151074      0.400108      3.518117
  H      -0.800645     -1.502595      4.995512
  H      -2.081453     -0.581020      4.173562
  H      -0.910986     -3.270684      3.239908
  H      -2.362578     -3.038388      4.192275
  H      -1.007350     -3.327937      0.844627
  H      -1.039208     -1.587424      1.124197
  H      -1.570977     -2.000342     -1.217882
  H      -2.886777     -3.107981     -0.819302
  H      -3.896495     -0.969857     -1.375059
  H      -2.824449     -0.095129     -0.260968
  H      -5.062549     -0.430803      0.792928
  H      -4.922533     -2.183087      0.582410
  H      -4.284009     -1.396362      2.907013
  H      -2.976544     -0.443313      2.189746
  H     -10.052891     -5.943156      7.114783
  H     -10.375955     -5.715446      5.374198
  H     -10.488786     -7.339896      6.074790
  H      -8.194259     -7.446223      6.322523
  H      -7.775717     -5.141827      7.047791
  H      -6.606935     -5.894827      5.945193
  H      -7.167568     -3.543786      5.473210
  H      -8.833293     -3.956050      5.121399
  H      -8.772991     -6.242127      3.350508
  H      -9.464581     -4.669482      3.015233
  H      -9.353736     -5.579617      0.873613
  H      -7.814634     -6.391430      1.118992
  H      -7.923394     -4.147142     -0.343351
  H      -6.542334     -4.444270      0.722895
  H      -9.014023     -2.848615      1.554154
  H      -7.500249     -2.117962      1.018958
  H      -6.275883     -2.843841      2.887859
  H      -7.825981     -2.382232      3.582400
  H      -2.321562     -1.224459      9.983701
  H      -2.311786      0.109498      8.805870
  H      -0.798762     -0.794883      9.159492
  H      -2.023598     -1.418794      7.048717
  H      -2.026504     -3.567934      9.040480
  H      -0.549436     -3.029136      8.238370
  H      -2.022064     -3.347836      6.017442
  H      -1.031571     -4.634688      6.692468
  H      -1.922961     -6.640051      7.555892
  H      -3.652274     -6.965696      7.465704
  H      -3.069650     -6.973700      9.756922
  H      -2.072681     -5.538591      9.647015
  H      -4.734535     -5.567566     10.558295
  H      -3.879808     -4.121180     10.017643
  H      -6.033927     -4.332711      8.811423
  H      -5.578508     -5.927035      8.217433
  H      -4.255822     -3.225586      7.580740
  H      -5.155000     -4.259232      6.478751
  N      -4.766121     -2.822098      4.708456
  N      -5.020798     -1.815249      5.203221
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.499626452944
  N      -3.394709     -3.853058      2.188852
  C      -3.225969     -4.867632      1.155338
  C      -2.799654     -6.175001      1.803405
  N      -3.735806     -6.488365      2.908198
  C      -4.991815     -7.102291      2.407333
  C      -6.126617     -6.677440      3.318100
  N      -6.104321     -5.215470      3.435406
  Mo     -4.277943     -4.533145      3.862112
  N      -3.340936     -5.408649      5.429823
  C      -2.373705     -6.398878      4.934298
  C      -3.086019     -7.315795      3.956237
  H      -1.964015     -7.030606      5.736768
  H      -1.495707     -5.927110      4.446665
  H      -3.874530     -7.857034      4.499428
  H      -2.405848     -8.055615      3.496015
  H      -7.072559     -7.053949      2.905011
  H      -6.017771     -7.175216      4.304364
  H      -5.180601     -6.715223      1.395264
  H      -4.888933     -8.200674      2.350644
  H      -2.457488     -4.600057      0.419663
  H      -4.165298     -5.016996      0.585094
  H      -1.797487     -6.040450      2.237912
  H      -2.761459     -7.011555      1.080130
  C       1.035957     -1.160051      3.129405
  N      -0.281288     -0.531872      3.158431
  C      -1.247977     -1.244940      3.996160
  C      -1.759086     -2.563489      3.411687
  C      -2.620149     -2.575628      2.119314
  C      -1.670414     -2.445665      0.901388
  C      -2.333041     -2.201493     -0.463214
  C      -3.350572     -1.055652     -0.413958
  C      -4.336418     -1.275741      0.733202
  C      -3.590517     -1.371965      2.063740
  C      -9.928784     -6.381954      6.120982
  N      -8.540797     -6.657455      5.759458
  C      -7.640327     -5.529044      6.014144
  C      -7.796959     -4.338045      5.073581
  C      -7.425563     -4.528076      3.577114
  C      -8.571555     -5.281181      2.860186
  C      -8.374930     -5.463178      1.343552
  C      -7.625843     -4.277902      0.710075
  C      -7.914232     -3.007827      1.506125
  C      -7.334031     -3.113363      2.922504
  C      -1.877162     -0.893860      9.024394
  N      -2.285028     -1.812312      7.964795
  C      -1.646290     -3.123181      8.091592
  C      -1.938220     -4.010502      6.870778
  C      -3.158499     -4.971822      6.856034
  C      -2.900266     -6.205294      7.762197
  C      -3.001191     -5.980095      9.281097
  C      -4.211342     -5.117345      9.693083
  C      -5.168139     -4.955890      8.516844
  C      -4.472904     -4.284897      7.327569
  H       1.438055     -1.392607      4.140057
  H       1.746222     -0.496638      2.616606
  H       0.993979     -2.103291      2.564852
  H      -0.185885      0.421882      3.508705
  H      -0.814060     -1.485224      4.997958
  H      -2.101259     -0.574140      4.175955
  H      -0.916010     -3.260030      3.255565
  H      -2.373240     -3.027025      4.199269
  H      -0.988688     -3.313267      0.859730
  H      -1.038450     -1.573959      1.140502
  H      -1.544985     -1.986818     -1.205403
  H      -2.855237     -3.106580     -0.820086
  H      -3.877441     -0.975448     -1.378852
  H      -2.823349     -0.095954     -0.253817
  H      -5.068778     -0.452788      0.778185
  H      -4.912338     -2.202086      0.564848
  H      -4.303406     -1.417460      2.895917
  H      -2.998245     -0.449171      2.193867
  H     -10.046415     -5.940251      7.135694
  H     -10.376426     -5.682575      5.402812
  H     -10.505673     -7.313553      6.078826
  H      -8.209038     -7.448557      6.314000
  H      -7.764650     -5.144909      7.051354
  H      -6.608501     -5.904901      5.939730
  H      -7.157927     -3.540883      5.475966
  H      -8.827624     -3.948807      5.126057
  H      -8.781191     -6.236135      3.361045
  H      -9.466690     -4.660103      3.023058
  H      -9.370638     -5.562560      0.880396
  H      -7.844937     -6.401947      1.120034
  H      -7.909179     -4.163294     -0.346619
  H      -6.540274     -4.466243      0.735738
  H      -9.005584     -2.845296      1.541978
  H      -7.485714     -2.124788      1.007085
  H      -6.272078     -2.844656      2.888894
  H      -7.824690     -2.377071      3.575815
  H      -2.270299     -1.241517      9.995119
  H      -2.294619      0.103116      8.828562
  H      -0.771039     -0.799928      9.132217
  H      -2.041197     -1.414973      7.052825
  H      -2.004619     -3.575863      9.029684
  H      -0.542723     -3.024875      8.206700
  H      -2.052476     -3.334452      6.009405
  H      -1.041919     -4.618992      6.655536
  H      -1.907577     -6.625698      7.558241
  H      -3.633989     -6.971554      7.467756
  H      -3.067474     -6.970525      9.756917
  H      -2.068796     -5.536310      9.652518
  H      -4.726029     -5.559282     10.563862
  H      -3.877281     -4.113712     10.007737
  H      -6.037430     -4.349046      8.811312
  H      -5.569101     -5.941683      8.223282
  H      -4.266542     -3.233319      7.577685
  H      -5.161784     -4.272643      6.477056
  N      -4.759106     -2.828237      4.706220
  N      -5.003880     -1.819382      5.201173
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.499690155778
  N      -3.391288     -3.853518      2.188266
  C      -3.222324     -4.867672      1.154438
  C      -2.799906     -6.176148      1.801982
  N      -3.737384     -6.487996      2.905429
  C      -4.993702     -7.099656      2.403987
  C      -6.126947     -6.676271      3.317141
  N      -6.105213     -5.214732      3.436560
  Mo     -4.277734     -4.532918      3.859492
  N      -3.343584     -5.410779      5.427564
  C      -2.378116     -6.402946      4.933776
  C      -3.090260     -7.317265      3.953241
  H      -1.972323     -7.036337      5.736612
  H      -1.497765     -5.932876      4.449045
  H      -3.880282     -7.857803      4.494356
  H      -2.410781     -8.057509      3.493011
  H      -7.072767     -7.052156      2.905342
  H      -6.016038     -7.174707      4.302113
  H      -5.183684     -6.709158      1.393952
  H      -4.891155     -8.197871      2.343452
  H      -2.451618     -4.601495      0.421725
  H      -4.159753     -5.014393      0.581798
  H      -1.798422     -6.044188      2.237576
  H      -2.762759     -7.012573      1.078616
  C       1.032775     -1.150298      3.141949
  N      -0.285932     -0.525063      3.162191
  C      -1.255402     -1.237473      3.997807
  C      -1.763124     -2.558282      3.414359
  C      -2.618199     -2.575469      2.117961
  C      -1.664111     -2.449560      0.902934
  C      -2.322126     -2.211925     -0.465202
  C      -3.338459     -1.065588     -0.424651
  C      -4.328645     -1.280007      0.719834
  C      -3.588673     -1.372939      2.054103
  C      -9.929855     -6.379587      6.136968
  N      -8.548106     -6.660160      5.761613
  C      -7.639007     -5.536959      6.012805
  C      -7.795678     -4.341119      5.076018
  C      -7.426574     -4.527560      3.579253
  C      -8.573104     -5.279604      2.861678
  C      -8.379393     -5.457464      1.344121
  C      -7.626439     -4.273573      0.713812
  C      -7.914881     -3.003904      1.510516
  C      -7.335887     -3.111497      2.927596
  C      -1.875797     -0.891690      9.025965
  N      -2.290384     -1.810023      7.969115
  C      -1.649498     -3.121473      8.088073
  C      -1.945060     -4.005345      6.866383
  C      -3.160560     -4.971968      6.853250
  C      -2.894806     -6.204862      7.758057
  C      -2.997367     -5.983126      9.277542
  C      -4.208686     -5.121097      9.690123
  C      -5.168953     -4.962523      8.515443
  C      -4.476674     -4.289194      7.326305
  H       1.432999     -1.373841      4.155419
  H       1.743354     -0.489809      2.625208
  H       0.993364     -2.098103      2.585316
  H      -0.194393      0.430231      3.509136
  H      -0.825210     -1.475382      5.002456
  H      -2.110470     -0.567251      4.173038
  H      -0.919713     -3.255742      3.264566
  H      -2.380426     -3.018690      4.201803
  H      -0.981706     -3.316656      0.867939
  H      -1.033560     -1.576491      1.140337
  H      -1.532192     -2.001322     -1.206037
  H      -2.843542     -3.117927     -0.819043
  H      -3.861356     -0.988624     -1.392089
  H      -2.811067     -0.106076     -0.266404
  H      -5.059248     -0.455657      0.759199
  H      -4.906228     -2.205324      0.552180
  H      -4.304919     -1.416513      2.883545
  H      -2.997651     -0.449609      2.184644
  H     -10.034187     -5.944930      7.154769
  H     -10.377937     -5.672134      5.426082
  H     -10.514802     -7.307569      6.095439
  H      -8.216790     -7.455993      6.311317
  H      -7.754230     -5.156404      7.051984
  H      -6.609740     -5.917640      5.931091
  H      -7.153666     -3.545477      5.479676
  H      -8.825807     -3.949718      5.131309
  H      -8.781491     -6.235608      3.360948
  H      -9.468232     -4.659195      3.027625
  H      -9.376016     -5.550072      0.881497
  H      -7.854344     -6.397916      1.116381
  H      -7.906558     -4.157858     -0.343730
  H      -6.541544     -4.464084      0.743137
  H      -9.006199     -2.840826      1.545013
  H      -7.485535     -2.120607      1.013114
  H      -6.273957     -2.842232      2.895517
  H      -7.827309     -2.376630      3.582161
  H      -2.258384     -1.243588      9.999852
  H      -2.297796      0.104507      8.836731
  H      -0.769903     -0.793488      9.122193
  H      -2.052899     -1.410737      7.056037
  H      -2.002239     -3.578246      9.025496
  H      -0.545811     -3.021364      8.197912
  H      -2.066547     -3.326180      6.009392
  H      -1.048350     -4.609411      6.644236
  H      -1.899075     -6.619673      7.553093
  H      -3.624597     -6.975221      7.462099
  H      -3.064308     -6.975416      9.750035
  H      -2.064702     -5.540405      9.652549
  H      -4.720868     -5.562560     10.561584
  H      -3.875244     -4.116481     10.002936
  H      -6.040134     -4.357597      8.811335
  H      -5.567921     -5.949857      8.221891
  H      -4.272266     -3.237688      7.578184
  H      -5.166515     -4.276497      6.476172
  N      -4.754860     -2.828365      4.704966
  N      -4.997848     -1.819695      5.201213
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.499725695628
  N      -3.389128     -3.853813      2.190403
  C      -3.219209     -4.866845      1.155460
  C      -2.799170     -6.176473      1.802281
  N      -3.738402     -6.487919      2.904554
  C      -4.994789     -7.098069      2.400656
  C      -6.128677     -6.676104      3.313581
  N      -6.106252     -5.214773      3.436041
  Mo     -4.277731     -4.534045      3.860038
  N      -3.346018     -5.414106      5.428325
  C      -2.381855     -6.408193      4.935482
  C      -3.093877     -7.319747      3.952352
  H      -1.979510     -7.043696      5.738258
  H      -1.499407     -5.939338      4.453426
  H      -3.885692     -7.859752      4.491346
  H      -2.415011     -8.060352      3.491989
  H      -7.074367     -7.050519      2.899751
  H      -6.019109     -7.176705      4.297728
  H      -5.184179     -6.705193      1.391443
  H      -4.892392     -8.196112      2.337475
  H      -2.446348     -4.600194      0.425094
  H      -4.155385     -5.012309      0.580410
  H      -1.798079     -6.046647      2.239339
  H      -2.762657     -7.012499      1.078340
  C       1.026512     -1.148804      3.142136
  N      -0.290893     -0.521425      3.163962
  C      -1.260713     -1.232755      3.999492
  C      -1.767567     -2.554013      3.417165
  C      -2.619008     -2.574442      2.118933
  C      -1.662681     -2.450627      0.905739
  C      -2.317707     -2.215375     -0.463897
  C      -3.333223     -1.069147     -0.427011
  C      -4.326363     -1.281509      0.715025
  C      -3.590350     -1.373470      2.051192
  C      -9.935493     -6.380422      6.140151
  N      -8.554751     -6.661078      5.757841
  C      -7.641348     -5.542201      6.010214
  C      -7.794951     -4.343407      5.077840
  C      -7.427225     -4.526966      3.580647
  C      -8.573994     -5.277266      2.861976
  C      -8.378889     -5.454622      1.344561
  C      -7.618983     -4.273984      0.716475
  C      -7.907987     -3.002562      1.510564
  C      -7.336238     -3.110020      2.931339
  C      -1.867176     -0.892561      9.027130
  N      -2.289014     -1.807965      7.971755
  C      -1.645150     -3.118386      8.081932
  C      -1.949651     -3.999288      6.859556
  C      -3.161446     -4.971216      6.853407
  C      -2.888794     -6.201358      7.760431
  C      -2.995241     -5.980257      9.279963
  C      -4.208066     -5.119760      9.690497
  C      -5.169558     -4.967164      8.516334
  C      -4.479398     -4.291673      7.327576
  H       1.429659     -1.369372      4.154402
  H       1.735483     -0.491584      2.620984
  H       0.984165     -2.098669      2.589372
  H      -0.198135      0.433684      3.511415
  H      -0.832284     -1.469751      5.004486
  H      -2.115378     -0.562413      4.172777
  H      -0.924703     -3.252661      3.270994
  H      -2.387877     -3.012062      4.203501
  H      -0.980517     -3.317598      0.873721
  H      -1.032404     -1.577617      1.142486
  H      -1.526656     -2.006247     -1.203537
  H      -2.838356     -3.121295     -0.817124
  H      -3.853320     -0.993175     -1.395537
  H      -2.806106     -0.110347     -0.268737
  H      -5.055993     -0.456355      0.751962
  H      -4.904525     -2.206079      0.546372
  H      -4.308360     -1.417381      2.878716
  H      -3.001121     -0.449547      2.182882
  H     -10.033317     -5.949608      7.158988
  H     -10.386915     -5.668940      5.433053
  H     -10.523724     -7.309096      6.098993
  H      -8.223880     -7.459100      6.301542
  H      -7.753297     -5.165115      7.050488
  H      -6.613590     -5.925766      5.924798
  H      -7.149357     -3.552358      5.483230
  H      -8.823192     -3.947712      5.135770
  H      -8.783504     -6.233176      3.360770
  H      -9.468421     -4.655585      3.027808
  H      -9.375107     -5.541008      0.880164
  H      -7.858584     -6.397952      1.116698
  H      -7.893681     -4.158356     -0.342656
  H      -6.534830     -4.468278      0.751354
  H      -8.999383     -2.836674      1.539605
  H      -7.474402     -2.120717      1.013979
  H      -6.274139     -2.838325      2.906011
  H      -7.833616     -2.376958      3.584444
  H      -2.241554     -1.248798     10.000882
  H      -2.291202      0.104593      8.844962
  H      -0.761166     -0.794092      9.115275
  H      -2.058331     -1.406142      7.058273
  H      -1.989557     -3.578119      9.020828
  H      -0.540120     -3.016177      8.182943
  H      -2.082884     -3.318222      6.006298
  H      -1.052126     -4.598641      6.626168
  H      -1.890137     -6.610031      7.556251
  H      -3.613541     -6.976724      7.464460
  H      -3.063372     -6.973282      9.751249
  H      -2.063795     -5.537464      9.658284
  H      -4.717594     -5.559045     10.564146
  H      -3.877022     -4.113214      9.998366
  H      -6.043075     -4.365512      8.811436
  H      -5.564412     -5.956123      8.223742
  H      -4.277219     -3.239697      7.580538
  H      -5.169531     -4.279881      6.477628
  N      -4.753297     -2.831852      4.708128
  N      -5.001098     -1.827191      5.207122
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.499744955300
  N      -3.388504     -3.853332      2.190828
  C      -3.219455     -4.865968      1.155413
  C      -2.799281     -6.175931      1.801595
  N      -3.738279     -6.487565      2.903974
  C      -4.994619     -7.097812      2.400183
  C      -6.128424     -6.676153      3.313072
  N      -6.106317     -5.214872      3.435787
  Mo     -4.277671     -4.533887      3.860003
  N      -3.346096     -5.414446      5.427890
  C      -2.382123     -6.408900      4.935384
  C      -3.093960     -7.319761      3.951625
  H      -1.980897     -7.045051      5.738239
  H      -1.499132     -5.940193      4.454182
  H      -3.886033     -7.859911      4.490063
  H      -2.415039     -8.060196      3.491113
  H      -7.073923     -7.050513      2.898864
  H      -6.019045     -7.177037      4.296957
  H      -5.184360     -6.705160      1.390989
  H      -4.892004     -8.195814      2.336935
  H      -2.446856     -4.598878      0.424646
  H      -4.156207     -5.011354      0.580946
  H      -1.797982     -6.046895      2.238477
  H      -2.763401     -7.011680      1.077296
  C       1.027293     -1.152328      3.147533
  N      -0.288401     -0.521077      3.167030
  C      -1.262178     -1.230281      3.999896
  C      -1.768937     -2.551672      3.417559
  C      -2.619023     -2.573696      2.118375
  C      -1.662042     -2.451591      0.905749
  C      -2.316434     -2.218162     -0.464576
  C      -3.331674     -1.071591     -0.429824
  C      -4.325606     -1.282074      0.711779
  C      -3.590453     -1.373021      2.048598
  C      -9.937696     -6.378086      6.138995
  N      -8.557240     -6.663040      5.759229
  C      -7.642168     -5.545341      6.011768
  C      -7.794109     -4.345460      5.079879
  C      -7.427490     -4.527632      3.582233
  C      -8.574190     -5.277565      2.863041
  C      -8.378803     -5.453447      1.345506
  C      -7.617796     -4.272963      0.718556
  C      -7.906720     -3.001871      1.512825
  C      -7.337515     -3.109909      2.934599
  C      -1.868016     -0.892326      9.027484
  N      -2.292761     -1.806705      7.972607
  C      -1.645716     -3.115683      8.078654
  C      -1.953042     -3.994542      6.856123
  C      -3.161234     -4.970330      6.852699
  C      -2.884174     -6.199655      7.759805
  C      -2.992433     -5.980359      9.279449
  C      -4.206254     -5.120447      9.688991
  C      -5.168786     -4.971419      8.515330
  C      -4.480599     -4.294040      7.327129
  H       1.427386     -1.375404      4.160937
  H       1.740112     -0.496472      2.628396
  H       0.982787     -2.101607      2.593201
  H      -0.193361      0.433103      3.516472
  H      -0.838054     -1.466599      5.007132
  H      -2.116669     -0.558400      4.169329
  H      -0.926878     -3.251896      3.273755
  H      -2.391299     -3.007622      4.203064
  H      -0.979913     -3.318747      0.875224
  H      -1.031659     -1.578442      1.141527
  H      -1.525150     -2.010291     -1.204161
  H      -2.837063     -3.124420     -0.816894
  H      -3.851242     -0.996957     -1.398893
  H      -2.804532     -0.112625     -0.272480
  H      -5.054414     -0.456005      0.747548
  H      -4.904538     -2.206228      0.543293
  H      -4.308543     -1.416289      2.876003
  H      -3.001627     -0.448774      2.179844
  H     -10.036415     -5.946306      7.157983
  H     -10.385198     -5.665316      5.430825
  H     -10.528673     -7.304434      6.096305
  H      -8.228527     -7.460773      6.305029
  H      -7.753579     -5.168227      7.052184
  H      -6.614753     -5.930194      5.926515
  H      -7.146347     -3.556051      5.485806
  H      -8.821633     -3.947301      5.138791
  H      -8.783114     -6.233942      3.361025
  H      -9.468760     -4.656299      3.029541
  H      -9.374832     -5.538591      0.880515
  H      -7.859108     -6.396895      1.117160
  H      -7.891974     -4.156551     -0.340618
  H      -6.533776     -4.467841      0.753872
  H      -8.997945     -2.835186      1.540178
  H      -7.471859     -2.120264      1.017137
  H      -6.275741     -2.835838      2.912403
  H      -7.838146     -2.378705      3.587457
  H      -2.238080     -1.250332     10.001565
  H      -2.293930      0.105369      8.848571
  H      -0.761430     -0.793311      9.111827
  H      -2.066777     -1.403461      7.058331
  H      -1.985164     -3.577840      9.018203
  H      -0.540928     -3.011135      8.175316
  H      -2.093424     -3.312054      6.005177
  H      -1.054725     -4.590218      6.617137
  H      -1.883917     -6.604773      7.555596
  H      -3.606262     -6.977530      7.463207
  H      -3.061431     -6.974606      9.749303
  H      -2.061143     -5.537908      9.660277
  H      -4.714240     -5.558255     10.564229
  H      -3.876255     -4.112498      9.993665
  H      -6.043668     -4.372201      8.810165
  H      -5.560987     -5.961056      8.223003
  H      -4.280665     -3.242136      7.580926
  H      -5.170552     -4.282824      6.477139
  N      -4.752232     -2.832193      4.709029
  N      -4.998335     -1.826961      5.208292
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.499774599626
  N      -3.389290     -3.851474      2.190508
  C      -3.224080     -4.863832      1.154160
  C      -2.801135     -6.174204      1.798112
  N      -3.737723     -6.487397      2.901959
  C      -4.994074     -7.099246      2.400508
  C      -6.127093     -6.678114      3.314076
  N      -6.106812     -5.216709      3.435598
  Mo     -4.278445     -4.533425      3.859612
  N      -3.346746     -5.415550      5.426023
  C      -2.381644     -6.408859      4.933624
  C      -3.092036     -7.319267      3.948844
  H      -1.981125     -7.045461      5.736410
  H      -1.498798     -5.938700      4.453690
  H      -3.883589     -7.861089      4.486302
  H      -2.412085     -8.058197      3.487541
  H      -7.072171     -7.053469      2.900167
  H      -6.016946     -7.178408      4.297839
  H      -5.185807     -6.708671      1.390947
  H      -4.890332     -8.197168      2.338347
  H      -2.455049     -4.595455      0.419735
  H      -4.163956     -5.009923      0.584243
  H      -1.798854     -6.046172      2.233201
  H      -2.766860     -7.009183      1.072867
  C       1.034892     -1.171230      3.160329
  N      -0.275695     -0.528727      3.174173
  C      -1.260051     -1.230259      4.001335
  C      -1.769968     -2.550584      3.418519
  C      -2.618242     -2.572243      2.117766
  C      -1.660456     -2.451961      0.906040
  C      -2.314242     -2.216995     -0.464446
  C      -3.326936     -1.067876     -0.429951
  C      -4.322379     -1.276221      0.710626
  C      -3.588191     -1.370439      2.047885
  C      -9.945274     -6.371218      6.133037
  N      -8.564547     -6.666257      5.762130
  C      -7.646675     -5.551149      6.015165
  C      -7.793106     -4.350358      5.083515
  C      -7.428809     -4.531218      3.585544
  C      -8.574829     -5.281024      2.865343
  C      -8.378270     -5.454320      1.347762
  C      -7.618119     -4.272802      0.722282
  C      -7.906607     -3.003090      1.518030
  C      -7.341075     -3.112536      2.940678
  C      -1.877699     -0.883435      9.021200
  N      -2.301926     -1.799713      7.968272
  C      -1.649287     -3.106373      8.069058
  C      -1.962061     -3.983242      6.847184
  C      -3.161461     -4.968988      6.850554
  C      -2.870648     -6.194936      7.757558
  C      -2.980862     -5.977334      9.277744
  C      -4.199224     -5.124808      9.687765
  C      -5.166593     -4.984650      8.516549
  C      -4.484609     -4.302333      7.327940
  H       1.427984     -1.397713      4.175209
  H       1.757140     -0.522743      2.643956
  H       0.983815     -2.119316      2.605409
  H      -0.173571      0.422943      3.527465
  H      -0.847066     -1.465558      5.014042
  H      -2.112508     -0.552648      4.161386
  H      -0.931928     -3.256600      3.279057
  H      -2.398542     -3.000391      4.202194
  H      -0.979808     -3.320568      0.875392
  H      -1.027804     -1.580385      1.141709
  H      -1.522601     -2.011144     -1.204179
  H      -2.836985     -3.122181     -0.816996
  H      -3.846007     -0.992295     -1.399524
  H      -2.797766     -0.109839     -0.272133
  H      -5.048012     -0.447041      0.746980
  H      -4.904600     -2.197957      0.539776
  H      -4.305596     -1.413743      2.875634
  H      -2.998533     -0.446762      2.180505
  H     -10.048133     -5.936029      7.151183
  H     -10.382902     -5.656384      5.421251
  H     -10.542281     -7.292461      6.086606
  H      -8.241110     -7.461924      6.314668
  H      -7.758225     -5.172446      7.055126
  H      -6.620291     -5.939336      5.932236
  H      -7.140100     -3.565442      5.490031
  H      -8.817943     -3.945073      5.143942
  H      -8.782560     -6.238197      3.361663
  H      -9.470062     -4.661161      3.033126
  H      -9.373507     -5.540365      0.881630
  H      -7.857014     -6.396602      1.119351
  H      -7.893816     -4.154523     -0.336052
  H      -6.534114     -4.467457      0.755422
  H      -8.997348     -2.835082      1.543330
  H      -7.469941     -2.121716      1.024153
  H      -6.280718     -2.834094      2.922984
  H      -7.846564     -2.385075      3.593446
  H      -2.240488     -1.243856      9.997405
  H      -2.310796      0.111789      8.844873
  H      -0.771414     -0.777267      9.100218
  H      -2.082749     -1.395059      7.053027
  H      -1.980113     -3.571866      9.010181
  H      -0.544441     -2.997840      8.157433
  H      -2.119177     -3.299341      6.000560
  H      -1.061298     -4.570177      6.596400
  H      -1.866313     -6.589282      7.551586
  H      -3.585035     -6.980444      7.461490
  H      -3.044875     -6.971985      9.746172
  H      -2.052993     -5.530077      9.660804
  H      -4.700806     -5.561869     10.566488
  H      -3.874219     -4.113628      9.986781
  H      -6.044595     -4.390541      8.813204
  H      -5.554458     -5.976645      8.224802
  H      -4.290136     -3.249926      7.583527
  H      -5.175778     -4.293299      6.478577
  N      -4.751307     -2.833655      4.710268
  N      -4.995377     -1.827359      5.210172
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.499782304953
  N      -3.390800     -3.851289      2.190035
  C      -3.227714     -4.864262      1.153934
  C      -2.802527     -6.174239      1.797362
  N      -3.737212     -6.487985      2.902620
  C      -4.994051     -7.100729      2.403529
  C      -6.126266     -6.678919      3.317906
  N      -6.106245     -5.217230      3.437734
  Mo     -4.278083     -4.533191      3.860277
  N      -3.344663     -5.415137      5.425694
  C      -2.378996     -6.407556      4.932600
  C      -3.089680     -7.318771      3.949035
  H      -1.977284     -7.043608      5.735211
  H      -1.497068     -5.936675      4.451760
  H      -3.880251     -7.861057      4.487399
  H      -2.409645     -8.057372      3.487252
  H      -7.071581     -7.054791      2.905029
  H      -6.015556     -7.178335      4.302080
  H      -5.186843     -6.711633      1.393566
  H      -4.890115     -8.198746      2.342687
  H      -2.461456     -4.595704      0.416786
  H      -4.169402     -5.011286      0.587212
  H      -1.799603     -6.045656      2.230821
  H      -2.768867     -7.009232      1.072222
  C       1.037536     -1.177156      3.159373
  N      -0.271206     -0.531074      3.176074
  C      -1.256745     -1.233022      4.001325
  C      -1.768781     -2.551863      3.417133
  C      -2.618888     -2.571800      2.117146
  C      -1.662606     -2.450196      0.904433
  C      -2.317985     -2.212047     -0.464884
  C      -3.330741     -1.062566     -0.427055
  C      -4.325212     -1.273684      0.713911
  C      -3.589248     -1.369736      2.050134
  C      -9.948503     -6.366420      6.131275
  N      -8.566732     -6.662582      5.764124
  C      -7.649291     -5.546892      6.017102
  C      -7.793564     -4.347599      5.083197
  C      -7.428146     -4.531207      3.586050
  C      -8.573690     -5.281380      2.865349
  C      -8.374706     -5.457329      1.348166
  C      -7.613492     -4.276581      0.721516
  C      -7.902037     -3.005405      1.515450
  C      -7.338944     -3.113405      2.939300
  C      -1.885265     -0.880414      9.018107
  N      -2.305028     -1.798719      7.964984
  C      -1.650971     -3.104459      8.068431
  C      -1.962210     -3.982575      6.847456
  C      -3.159987     -4.970020      6.850759
  C      -2.867008     -6.196188      7.757085
  C      -2.977534     -5.978767      9.277233
  C      -4.197940     -5.129164      9.687240
  C      -5.165557     -4.989835      8.516274
  C      -4.484100     -4.305526      7.328586
  H       1.428511     -1.411458      4.174042
  H       1.762534     -0.526785      2.647845
  H       0.984583     -2.122046      2.597168
  H      -0.166334      0.418883      3.534161
  H      -0.845164     -1.470065      5.013634
  H      -2.107892     -0.554516      4.162196
  H      -0.932543     -3.259694      3.276986
  H      -2.399000     -3.000029      4.200560
  H      -0.982593     -3.319395      0.871234
  H      -1.028664     -1.579532      1.140815
  H      -1.526967     -2.004829     -1.205093
  H      -2.841476     -3.116663     -0.818841
  H      -3.850996     -0.984965     -1.395971
  H      -2.801157     -0.104572     -0.267723
  H      -5.051578     -0.444993      0.752322
  H      -4.906745     -2.195836      0.541739
  H      -4.305370     -1.414720      2.878925
  H      -2.999550     -0.445850      2.183340
  H     -10.053600     -5.930009      7.148261
  H     -10.383843     -5.651890      5.417943
  H     -10.546487     -7.287102      6.084209
  H      -8.244261     -7.456723      6.319459
  H      -7.762689     -5.165757      7.056191
  H      -6.622780     -5.935620      5.937148
  H      -7.140138     -3.562396      5.489407
  H      -8.817877     -3.940807      5.141525
  H      -8.783062     -6.237883      3.362722
  H      -9.468737     -4.660556      3.031030
  H      -9.369248     -5.544837      0.880773
  H      -7.852666     -6.400049      1.122375
  H      -7.888559     -4.159118     -0.337239
  H      -6.529514     -4.471907      0.754974
  H      -8.992733     -2.836269      1.539088
  H      -7.463892     -2.124924      1.020714
  H      -6.279001     -2.835070      2.923267
  H      -7.845405     -2.385261      3.590322
  H      -2.249118     -1.240427      9.994426
  H      -2.321361      0.112960      8.839738
  H      -0.779190     -0.770887      9.099487
  H      -2.084600     -1.395006      7.049496
  H      -1.982259     -3.569440      9.009701
  H      -0.546484     -2.995174      8.157608
  H      -2.121495     -3.299327      6.001020
  H      -1.060867     -4.568275      6.596580
  H      -1.861820     -6.588592      7.551018
  H      -3.580062     -6.983053      7.461054
  H      -3.038821     -6.973506      9.745965
  H      -2.050987     -5.528777      9.660110
  H      -4.698350     -5.567368     10.565817
  H      -3.875063     -4.117437      9.986009
  H      -6.044365     -4.396853      8.813028
  H      -5.552425     -5.982063      8.223884
  H      -4.290961     -3.253042      7.585188
  H      -5.175070     -4.296280      6.479250
  N      -4.749448     -2.833153      4.710688
  N      -4.992858     -1.825978      5.210245
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.499788462318
  N      -3.392615     -3.850370      2.189051
  C      -3.230736     -4.863660      1.152964
  C      -2.803824     -6.173397      1.795903
  N      -3.737045     -6.488146      2.902137
  C      -4.994285     -7.101507      2.404748
  C      -6.125638     -6.679915      3.320498
  N      -6.106169     -5.218111      3.439691
  Mo     -4.278382     -4.532733      3.860148
  N      -3.343596     -5.414556      5.424787
  C      -2.377071     -6.405612      4.930828
  C      -3.087762     -7.317849      3.948153
  H      -1.973603     -7.040882      5.733113
  H      -1.496290     -5.933701      4.448933
  H      -3.877244     -7.860841      4.487431
  H      -2.407412     -8.055966      3.485962
  H      -7.071366     -7.056469      2.908938
  H      -6.013491     -7.178867      4.304839
  H      -5.188187     -6.712826      1.394767
  H      -4.890195     -8.199543      2.344190
  H      -2.466244     -4.594742      0.413998
  H      -4.173487     -5.011293      0.588074
  H      -1.800494     -6.043934      2.228264
  H      -2.770092     -7.008206      1.070523
  C       1.041137     -1.183580      3.158234
  N      -0.267051     -0.536274      3.174205
  C      -1.253178     -1.236185      4.000231
  C      -1.767780     -2.554233      3.416646
  C      -2.618329     -2.572153      2.116867
  C      -1.662156     -2.451376      0.903965
  C      -2.316953     -2.208969     -0.464889
  C      -3.326844     -1.057276     -0.424675
  C      -4.322169     -1.269140      0.715499
  C      -3.586802     -1.368457      2.051671
  C      -9.950466     -6.364804      6.130437
  N      -8.568186     -6.662603      5.766619
  C      -7.651111     -5.546547      6.019318
  C      -7.794535     -4.348164      5.084152
  C      -7.428348     -4.532395      3.587366
  C      -8.573323     -5.282943      2.866106
  C      -8.373744     -5.458404      1.349019
  C      -7.614682     -4.276305      0.722756
  C      -7.904155     -3.006361      1.517790
  C      -7.339470     -3.114614      2.940473
  C      -1.894689     -0.876332      9.014765
  N      -2.309264     -1.796282      7.960870
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  C      -1.963377     -3.981012      6.846827
  C      -3.159436     -4.970409      6.850208
  C      -2.864174     -6.196213      7.756102
  C      -2.974031     -5.978171      9.276279
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  C      -5.164616     -4.994295      8.516434
  C      -4.484312     -4.308242      7.328753
  H       1.431624     -1.416667      4.172393
  H       1.766411     -0.535440      2.646234
  H       0.988002     -2.128399      2.597558
  H      -0.161465      0.413814      3.531000
  H      -0.841878     -1.473361      5.012583
  H      -2.103171     -0.556168      4.160990
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  H      -0.984742     -3.322412      0.868996
  H      -1.025571     -1.582995      1.141659
  H      -1.525435     -2.002297     -1.204800
  H      -2.842801     -3.111470     -0.820567
  H      -3.846451     -0.976094     -1.393491
  H      -2.795059     -0.101106     -0.262810
  H      -5.047736     -0.439955      0.755019
  H      -4.904381     -2.190510      0.541519
  H      -4.303262     -1.413585      2.880329
  H      -2.995604     -0.445812      2.186396
  H     -10.057863     -5.927041      7.146811
  H     -10.383081     -5.650498      5.415734
  H     -10.549212     -7.284345      6.082349
  H      -8.246594     -7.455766      6.324310
  H      -7.765690     -5.163936      7.057761
  H      -6.624596     -5.935647      5.941102
  H      -7.141753     -3.562304      5.490102
  H      -8.819028     -3.941517      5.141269
  H      -8.782754     -6.239640      3.362928
  H      -9.468814     -4.662834      3.031629
  H      -9.368074     -5.548168      0.881592
  H      -7.849694     -6.399848      1.123307
  H      -7.890722     -4.158346     -0.335542
  H      -6.530493     -4.470131      0.755127
  H      -8.994881     -2.838908      1.542595
  H      -7.467651     -2.125051      1.023426
  H      -6.279855     -2.836189      2.922816
  H      -7.844734     -2.386543      3.592004
  H      -2.261004     -1.236392      9.990191
  H      -2.332893      0.115883      8.834422
  H      -0.789103     -0.763959      9.099713
  H      -2.086696     -1.393012      7.045887
  H      -1.986945     -3.565536      9.008479
  H      -0.550172     -2.991561      8.157808
  H      -2.124024     -3.298560      5.999968
  H      -1.061238     -4.565422      6.596439
  H      -1.858408     -6.586594      7.549621
  H      -3.575816     -6.984426      7.460713
  H      -3.031002     -6.972479      9.746032
  H      -2.048896     -5.524330      9.657457
  H      -4.696197     -5.572635     10.565790
  H      -3.876284     -4.119974      9.986853
  H      -6.044214     -4.402890      8.813583
  H      -5.550183     -5.986975      8.223633
  H      -4.292478     -3.255531      7.585963
  H      -5.175412     -4.299489      6.479501
  N      -4.749879     -2.833428      4.711250
  N      -4.993943     -1.826730      5.211163
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.499794221329
  N      -3.394362     -3.849061      2.188302
  C      -3.233254     -4.862441      1.152048
  C      -2.805627     -6.172252      1.794648
  N      -3.737854     -6.487789      2.901569
  C      -4.995616     -7.101181      2.405544
  C      -6.125877     -6.679984      3.323060
  N      -6.106706     -5.218185      3.442183
  Mo     -4.279066     -4.531749      3.859991
  N      -3.343062     -5.413406      5.424007
  C      -2.376177     -6.403608      4.929190
  C      -3.087226     -7.316683      3.947290
  H      -1.971125     -7.038261      5.731174
  H      -1.496275     -5.931147      4.446164
  H      -3.875827     -7.860037      4.487594
  H      -2.406824     -8.054643      3.484835
  H      -7.072194     -7.057091      2.913204
  H      -6.011764     -7.178667      4.307357
  H      -5.190648     -6.712114      1.395906
  H      -4.891688     -8.199220      2.344593
  H      -2.469652     -4.593360      0.412055
  H      -4.176508     -5.010178      0.587923
  H      -1.802000     -6.042152      2.226291
  H      -2.771779     -7.006816      1.068903
  C       1.044297     -1.190277      3.159808
  N      -0.262942     -0.540780      3.172930
  C      -1.251018     -1.237833      3.999116
  C      -1.768271     -2.555160      3.416630
  C      -2.618312     -2.571970      2.116649
  C      -1.661525     -2.452351      0.904126
  C      -2.315141     -2.207503     -0.464921
  C      -3.323204     -1.054221     -0.424025
  C      -4.319735     -1.266576      0.715121
  C      -3.585555     -1.367283      2.051813
  C      -9.953294     -6.363915      6.131095
  N      -8.570843     -6.662055      5.768050
  C      -7.653521     -5.546229      6.020741
  C      -7.796242     -4.348149      5.085282
  C      -7.429029     -4.532601      3.588760
  C      -8.573454     -5.283656      2.867049
  C      -8.372445     -5.460236      1.350228
  C      -7.613829     -4.277853      0.724013
  C      -7.905042     -3.007730      1.518410
  C      -7.340175     -3.114983      2.941153
  C      -1.901123     -0.872014      9.012999
  N      -2.311381     -1.793199      7.958595
  C      -1.655610     -3.097650      8.066031
  C      -1.964300     -3.978068      6.845524
  C      -3.158791     -4.969744      6.849600
  C      -2.860607     -6.195609      7.754115
  C      -2.969683     -5.978650      9.274434
  C      -4.195384     -5.138039      9.687030
  C      -5.163479     -4.999285      8.516271
  C      -4.484332     -4.309911      7.329827
  H       1.432249     -1.424238      4.174897
  H       1.771778     -0.543258      2.649597
  H       0.990979     -2.134658      2.598878
  H      -0.156343      0.409750      3.527893
  H      -0.840516     -1.475133      5.011982
  H      -2.099807     -0.555914      4.159087
  H      -0.935325     -3.266875      3.277409
  H      -2.401889     -2.998156      4.200162
  H      -0.986106     -3.324920      0.868679
  H      -1.023148     -1.585494      1.142843
  H      -1.522756     -2.001368     -1.204092
  H      -2.842404     -3.108745     -0.821844
  H      -3.841745     -0.970571     -1.393200
  H      -2.789974     -0.099227     -0.260059
  H      -5.045408     -0.437648      0.754468
  H      -4.901579     -2.187899      0.540063
  H      -4.302923     -1.412410      2.879910
  H      -2.993536     -0.445397      2.187536
  H     -10.061213     -5.926308      7.147369
  H     -10.384796     -5.649045      5.416292
  H     -10.552823     -7.283034      6.082237
  H      -8.249716     -7.455104      6.325886
  H      -7.768474     -5.163394      7.058957
  H      -6.627245     -5.935862      5.942921
  H      -7.144417     -3.561900      5.491290
  H      -8.821024     -3.942144      5.141440
  H      -8.783725     -6.240120      3.364198
  H      -9.469150     -4.663481      3.031278
  H      -9.366336     -5.551438      0.882147
  H      -7.847306     -6.401342      1.125621
  H      -7.888830     -4.160604     -0.334717
  H      -6.529610     -4.470894      0.757627
  H      -8.996020     -2.841808      1.543034
  H      -7.469633     -2.125984      1.023770
  H      -6.280344     -2.836577      2.923062
  H      -7.845221     -2.386269      3.592384
  H      -2.267965     -1.233331      9.987886
  H      -2.342459      0.118407      8.831911
  H      -0.796410     -0.755426      9.099665
  H      -2.087690     -1.389813      7.044266
  H      -1.988645     -3.561321      9.007362
  H      -0.551282     -2.987404      8.156964
  H      -2.127829     -3.295597      5.999198
  H      -1.061422     -4.560863      6.593243
  H      -1.854008     -6.583434      7.546920
  H      -3.570538     -6.985244      7.458580
  H      -3.021458     -6.973210      9.744049
  H      -2.046136     -5.520757      9.654520
  H      -4.693650     -5.582430     10.563759
  H      -3.878085     -4.125812      9.989789
  H      -6.044126     -4.409821      8.814466
  H      -5.547560     -5.992045      8.221499
  H      -4.293464     -3.257502      7.589324
  H      -5.175864     -4.300201      6.480705
  N      -4.751044     -2.832961      4.712189
  N      -4.993930     -1.826147      5.212262
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.499800379472
  N      -3.395110     -3.848413      2.189473
  C      -3.234802     -4.861160      1.152264
  C      -2.808094     -6.171867      1.793882
  N      -3.739926     -6.487965      2.900865
  C      -4.998255     -7.100482      2.405295
  C      -6.127258     -6.679727      3.324743
  N      -6.107890     -5.217980      3.444005
  Mo     -4.280123     -4.531702      3.860471
  N      -3.343558     -5.414210      5.423693
  C      -2.377104     -6.404333      4.927861
  C      -3.088918     -7.317093      3.946026
  H      -1.971515     -7.039262      5.729350
  H      -1.497319     -5.931970      4.444437
  H      -3.877254     -7.860372      4.486850
  H      -2.409077     -8.055291      3.483119
  H      -7.074245     -7.056963      2.916897
  H      -6.011178     -7.178258      4.308792
  H      -5.193986     -6.709755      1.396517
  H      -4.894735     -8.198499      2.342891
  H      -2.470928     -4.592102      0.412681
  H      -4.177775     -5.007517      0.587398
  H      -1.804361     -6.042155      2.225309
  H      -2.774592     -7.005941      1.067495
  C       1.042777     -1.191835      3.164284
  N      -0.263480     -0.540315      3.172747
  C      -1.254079     -1.233953      3.998708
  C      -1.772529     -2.551779      3.418865
  C      -2.619785     -2.570933      2.117192
  C      -1.660240     -2.452985      0.906664
  C      -2.309963     -2.208315     -0.464415
  C      -3.318447     -1.055240     -0.426453
  C      -4.318258     -1.268853      0.709683
  C      -3.588048     -1.367268      2.048757
  C      -9.955394     -6.361782      6.133254
  N      -8.572964     -6.659862      5.769897
  C      -7.655478     -5.543979      6.021719
  C      -7.798089     -4.346615      5.085566
  C      -7.429981     -4.531689      3.589269
  C      -8.574348     -5.282478      2.867036
  C      -8.371926     -5.460644      1.350450
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  C      -7.901815     -3.008777      1.516528
  C      -7.340393     -3.114383      2.940946
  C      -1.899959     -0.871420      9.012826
  N      -2.311761     -1.791943      7.958452
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  C      -1.967161     -3.975010      6.842557
  C      -3.158157     -4.970338      6.849285
  C      -2.855366     -6.195433      7.752883
  C      -2.963645     -5.979532      9.273352
  C      -4.192128     -5.143500      9.687602
  C      -5.161239     -5.006133      8.517442
  C      -4.484114     -4.313374      7.331659
  H       1.426994     -1.426438      4.180572
  H       1.772446     -0.545632      2.657007
  H       0.990617     -2.136051      2.603228
  H      -0.156599      0.411260      3.524977
  H      -0.845224     -1.469932      5.012561
  H      -2.101903     -0.550378      4.156228
  H      -0.940722     -3.265488      3.283468
  H      -2.409863     -2.990392      4.201833
  H      -0.985828     -3.326500      0.873431
  H      -1.021511     -1.586660      1.146670
  H      -1.515279     -2.001928     -1.201000
  H      -2.836034     -3.109621     -0.823068
  H      -3.833837     -0.970886     -1.397356
  H      -2.785842     -0.100255     -0.259977
  H      -5.046479     -0.442182      0.745872
  H      -4.896805     -2.192080      0.533629
  H      -4.308094     -1.412996      2.874623
  H      -2.997611     -0.444599      2.185552
  H     -10.062937     -5.924227      7.149350
  H     -10.386796     -5.646441      5.418459
  H     -10.555621     -7.280912      6.084369
  H      -8.251651     -7.452502      6.327875
  H      -7.770475     -5.160647      7.059593
  H      -6.629454     -5.934032      5.943939
  H      -7.147535     -3.559428      5.491153
  H      -8.823290     -3.941802      5.140825
  H      -8.786239     -6.238431      3.364646
  H      -9.469710     -4.661380      3.029677
  H      -9.365635     -5.549440      0.881346
  H      -7.849151     -6.403348      1.126649
  H      -7.879948     -4.164618     -0.335167
  H      -6.525548     -4.475368      0.763212
  H      -8.993000     -2.842827      1.538361
  H      -7.465159     -2.127728      1.021526
  H      -6.280485     -2.835208      2.925514
  H      -7.847729     -2.385407      3.590469
  H      -2.263640     -1.234990      9.987713
  H      -2.344016      0.118634      8.834692
  H      -0.795233     -0.752601      9.096733
  H      -2.089382     -1.387908      7.043998
  H      -1.988037     -3.561013      9.004938
  H      -0.551650     -2.987005      8.153409
  H      -2.137977     -3.290831      5.999134
  H      -1.064112     -4.554251      6.583842
  H      -1.847472     -6.579499      7.544793
  H      -3.562775     -6.987397      7.457678
  H      -3.010513     -6.974509      9.742853
  H      -2.041418     -5.517870      9.652262
  H      -4.688491     -5.590476     10.564345
  H      -3.877741     -4.130479      9.991249
  H      -6.043133     -4.419057      8.816746
  H      -5.543277     -5.999433      8.221620
  H      -4.294243     -3.261366      7.593593
  H      -5.176224     -4.302581      6.482937
  N      -4.750778     -2.833552      4.714350
  N      -4.991682     -1.826782      5.215089
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.499807060351
  N      -3.395942     -3.847828      2.188811
  C      -3.236000     -4.861131      1.152163
  C      -2.807634     -6.171035      1.794077
  N      -3.738578     -6.487125      2.901792
  C      -4.996676     -7.100821      2.407101
  C      -6.126219     -6.679173      3.325642
  N      -6.107085     -5.217308      3.443668
  Mo     -4.279626     -4.530611      3.860741
  N      -3.342223     -5.411990      5.424082
  C      -2.374899     -6.401244      4.927963
  C      -3.086285     -7.315278      3.946985
  H      -1.967735     -7.035211      5.729465
  H      -1.496125     -5.928037      4.443492
  H      -3.873812     -7.859053      4.488510
  H      -2.405887     -8.052968      3.484102
  H      -7.073210     -7.056955      2.917945
  H      -6.010269     -7.176841      4.310323
  H      -5.192528     -6.711936      1.397572
  H      -4.892645     -8.198881      2.346530
  H      -2.473334     -4.592251      0.411389
  H      -4.179612     -5.008550      0.588841
  H      -1.803693     -6.040243      2.224648
  H      -2.773992     -7.005461      1.068151
  C       1.045361     -1.195571      3.159265
  N      -0.260187     -0.542777      3.170797
  C      -1.250268     -1.236472      3.997448
  C      -1.770322     -2.553516      3.417087
  C      -2.619405     -2.571078      2.116562
  C      -1.661817     -2.452967      0.904496
  C      -2.314309     -2.208783     -0.465336
  C      -3.322405     -1.055317     -0.426034
  C      -4.319614     -1.267289      0.712696
  C      -3.586282     -1.366255      2.050047
  C      -9.952411     -6.365161      6.132290
  N      -8.569506     -6.660376      5.768939
  C      -7.653799     -5.543141      6.021232
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  C      -7.429356     -4.531301      3.588583
  C      -8.573326     -5.282677      2.866568
  C      -8.371116     -5.460530      1.350060
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  C      -7.904548     -3.007676      1.517066
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  C      -1.904599     -0.872005      9.015435
  N      -2.312384     -1.792528      7.959669
  C      -1.656674     -3.096718      8.067756
  C      -1.964205     -3.976552      6.846474
  C      -3.157790     -4.969332      6.849968
  C      -2.859044     -6.196024      7.753017
  C      -2.966914     -5.980251      9.273308
  C      -4.195165     -5.143430      9.687352
  C      -5.162440     -5.002619      8.516175
  C      -4.483274     -4.310302      7.331338
  H       1.430650     -1.432862      4.174655
  H       1.775006     -0.548523      2.652665
  H       0.991608     -2.138698      2.596149
  H      -0.151605      0.408397      3.523917
  H      -0.839780     -1.473715      5.010325
  H      -2.097371     -0.552489      4.156897
  H      -0.938603     -3.266961      3.279593
  H      -2.406009     -2.993196      4.200911
  H      -0.987192     -3.326329      0.870231
  H      -1.023033     -1.586332      1.143204
  H      -1.521092     -2.002983     -1.203598
  H      -2.841339     -3.110115     -0.822372
  H      -3.840079     -0.971614     -1.395825
  H      -2.789030     -0.100276     -0.261773
  H      -5.046454     -0.439513      0.750427
  H      -4.900018     -2.189670      0.538565
  H      -4.304332     -1.410801      2.877657
  H      -2.994307     -0.444288      2.185076
  H     -10.060693     -5.927541      7.148184
  H     -10.385713     -5.651339      5.417036
  H     -10.550380     -7.285929      6.084351
  H      -8.247188     -7.452868      6.326471
  H      -7.769715     -5.160194      7.059187
  H      -6.627101     -5.931509      5.943722
  H      -7.148068     -3.558042      5.490332
  H      -8.823540     -3.942589      5.140064
  H      -8.784231     -6.238843      3.364090
  H      -9.469125     -4.662283      3.029344
  H      -9.364707     -5.552724      0.881399
  H      -7.845379     -6.401558      1.126574
  H      -7.886648     -4.162002     -0.335510
  H      -6.528350     -4.470890      0.758475
  H      -8.995760     -2.842553      1.541339
  H      -7.469490     -2.125877      1.022130
  H      -6.279921     -2.836190      2.921811
  H      -7.844681     -2.384662      3.590675
  H      -2.272854     -1.234778      9.988878
  H      -2.346928      0.118237      8.834693
  H      -0.800169     -0.754095      9.104365
  H      -2.087765     -1.388439      7.045755
  H      -1.991364     -3.560214      9.008543
  H      -0.552519     -2.986959      8.160506
  H      -2.129102     -3.293455      6.001124
  H      -1.061188     -4.558169      6.592990
  H      -1.852356     -6.583586      7.545137
  H      -3.569068     -6.985555      7.457341
  H      -3.014277     -6.975449      9.742911
  H      -2.044054     -5.519163      9.651885
  H      -4.693595     -5.592076     10.561967
  H      -3.880410     -4.131565      9.994213
  H      -6.043658     -4.414382      8.815152
  H      -5.545609     -5.994966      8.219145
  H      -4.292544     -3.258449      7.593121
  H      -5.174640     -4.298752      6.482174
  N      -4.751955     -2.831951      4.713330
  N      -4.995045     -1.825585      5.213493
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.499831405090
  N      -3.404246     -3.841747      2.183670
  C      -3.249244     -4.858190      1.149407
  C      -2.809835     -6.164448      1.791504
  N      -3.731961     -6.481665      2.906040
  C      -4.990250     -7.102371      2.421490
  C      -6.118161     -6.676636      3.340112
  N      -6.101916     -5.213909      3.449514
  Mo     -4.276345     -4.522536      3.862697
  N      -3.331343     -5.398793      5.423884
  C      -2.358422     -6.380755      4.923886
  C      -3.068739     -7.302921      3.949664
  H      -1.939525     -7.008543      5.724076
  H      -1.487712     -5.901058      4.431649
  H      -3.849481     -7.850463      4.497071
  H      -2.385650     -8.037112      3.485226
  H      -7.065538     -7.059254      2.938047
  H      -5.997679     -7.167993      4.327270
  H      -5.190925     -6.723673      1.409187
  H      -4.883674     -8.200647      2.370415
  H      -2.495826     -4.589050      0.399081
  H      -4.198585     -5.011449      0.597175
  H      -1.803471     -6.027925      2.214763
  H      -2.777001     -7.000435      1.067339
  C       1.065211     -1.227909      3.120209
  N      -0.235009     -0.565405      3.149608
  C      -1.221166     -1.254939      3.984040
  C      -1.756374     -2.566320      3.404374
  C      -2.617321     -2.571664      2.111620
  C      -1.671361     -2.455219      0.890501
  C      -2.338130     -2.205620     -0.471242
  C      -3.338529     -1.045974     -0.419691
  C      -4.323119     -1.250940      0.731108
  C      -3.573802     -1.358073      2.058796
  C      -9.946502     -6.373525      6.125390
  N      -8.559983     -6.658960      5.769073
  C      -7.652576     -5.536072      6.023783
  C      -7.799243     -4.341907      5.084632
  C      -7.425587     -4.529527      3.589689
  C      -8.565318     -5.284542      2.865933
  C      -8.356538     -5.464852      1.351173
  C      -7.618954     -4.271111      0.720218
  C      -7.914186     -3.005589      1.520740
  C      -7.336301     -3.113310      2.938124
  C      -1.953415     -0.870876      9.032120
  N      -2.333354     -1.793690      7.968040
  C      -1.673052     -3.093410      8.089734
  C      -1.955924     -3.978974      6.867657
  C      -3.154762     -4.965862      6.852329
  C      -2.867851     -6.199249      7.750369
  C      -2.972743     -5.983807      9.270277
  C      -4.205450     -5.153489      9.686355
  C      -5.166070     -5.000115      8.511132
  C      -4.480966     -4.305643      7.330233
  H       1.456758     -1.478861      4.129827
  H       1.795398     -0.580221      2.615198
  H       1.000488     -2.164843      2.547657
  H      -0.114950      0.383418      3.505054
  H      -0.801128     -1.498720      4.990877
  H      -2.061390     -0.565492      4.154579
  H      -0.929571     -3.283147      3.255390
  H      -2.385575     -3.006295      4.193949
  H      -1.001070     -3.331380      0.847060
  H      -1.026636     -1.591782      1.123983
  H      -1.552328     -2.004105     -1.218443
  H      -2.874861     -3.103251     -0.822567
  H      -3.867431     -0.959181     -1.382999
  H      -2.797278     -0.094228     -0.262524
  H      -5.041627     -0.416420      0.779038
  H      -4.913997     -2.167822      0.563759
  H      -4.281274     -1.396500      2.895391
  H      -2.971382     -0.441912      2.186779
  H     -10.062508     -5.932231      7.139042
  H     -10.383686     -5.667272      5.404463
  H     -10.535867     -7.300265      6.080351
  H      -8.235389     -7.449055      6.328494
  H      -7.775319     -5.152625      7.060786
  H      -6.623354     -5.918345      5.951399
  H      -7.153682     -3.550788      5.489973
  H      -8.826716     -3.942823      5.136153
  H      -8.775286     -6.240514      3.364173
  H      -9.463460     -4.666219      3.024176
  H      -9.346730     -5.578954      0.880776
  H      -7.811841     -6.396610      1.134650
  H      -7.906781     -4.154678     -0.335169
  H      -6.532018     -4.450789      0.741339
  H      -9.006191     -2.847175      1.554331
  H      -7.488410     -2.119305      1.025773
  H      -6.274825     -2.840743      2.907495
  H      -7.829988     -2.379833      3.592935
  H      -2.345584     -1.231663      9.996637
  H      -2.392508      0.118750      8.838202
  H      -0.851092     -0.751324      9.149515
  H      -2.097744     -1.388112      7.058190
  H      -2.019957     -3.555375      9.026743
  H      -0.571563     -2.978563      8.200236
  H      -2.095554     -3.300207      6.014093
  H      -1.050757     -4.566826      6.640273
  H      -1.865152     -6.596404      7.541919
  H      -3.585601     -6.981080      7.452766
  H      -3.011496     -6.978245      9.741724
  H      -2.051467     -5.516167      9.644097
  H      -4.710569     -5.614693     10.551173
  H      -3.894409     -4.145368     10.010444
  H      -6.045892     -4.409610      8.810665
  H      -5.552763     -5.989555      8.207512
  H      -4.290432     -3.253996      7.592874
  H      -5.169451     -4.292650      6.478807
  N      -4.754651     -2.822458      4.710881
  N      -5.002526     -1.815277      5.208459
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.499874247484
  N      -3.409703     -3.835997      2.179038
  C      -3.259094     -4.855237      1.146493
  C      -2.810738     -6.158650      1.788179
  N      -3.724944     -6.477334      2.908905
  C      -4.984775     -7.102787      2.434190
  C      -6.109335     -6.675835      3.357258
  N      -6.096275     -5.212524      3.460708
  Mo     -4.271562     -4.515048      3.864424
  N      -3.319885     -5.388293      5.423135
  C      -2.342347     -6.364244      4.920061
  C      -3.052074     -7.292839      3.950978
  H      -1.914063     -6.987245      5.719122
  H      -1.477964     -5.879458      4.421516
  H      -3.826935     -7.843865      4.503538
  H      -2.366858     -8.024060      3.484831
  H      -7.058174     -7.063082      2.962842
  H      -5.981173     -7.162403      4.346050
  H      -5.191583     -6.729603      1.420825
  H      -4.876531     -8.201114      2.387912
  H      -2.513873     -4.586124      0.388020
  H      -4.213012     -5.013385      0.603513
  H      -1.802193     -6.017559      2.204767
  H      -2.778876     -6.995447      1.064792
  C       1.084446     -1.265610      3.085446
  N      -0.207393     -0.587408      3.126395
  C      -1.194567     -1.265385      3.968774
  C      -1.748797     -2.571877      3.395853
  C      -2.615138     -2.570694      2.106467
  C      -1.674422     -2.457363      0.881125
  C      -2.347600     -2.204546     -0.477348
  C      -3.343932     -1.040573     -0.420281
  C      -4.323309     -1.242656      0.735721
  C      -3.566566     -1.352284      2.059550
  C      -9.953001     -6.369291      6.121146
  N      -8.564611     -6.655533      5.773863
  C      -7.658884     -5.531279      6.031075
  C      -7.800296     -4.338887      5.088559
  C      -7.421279     -4.528991      3.595109
  C      -8.557697     -5.285932      2.868190
  C      -8.343788     -5.465414      1.354442
  C      -7.624576     -4.260841      0.722222
  C      -7.922792     -3.002231      1.531471
  C      -7.331649     -3.112892      2.941911
  C      -2.003508     -0.863351      9.052265
  N      -2.360035     -1.787953      7.982377
  C      -1.685787     -3.080580      8.103303
  C      -1.956935     -3.966888      6.877774
  C      -3.150392     -4.961270      6.853656
  C      -2.860000     -6.198323      7.746474
  C      -2.969600     -5.989778      9.265947
  C      -4.216585     -5.180160      9.680950
  C      -5.169351     -5.019621      8.500573
  C      -4.482009     -4.310540      7.330629
  H       1.477558     -1.529269      4.091342
  H       1.819661     -0.622384      2.582514
  H       1.006649     -2.197459      2.505868
  H      -0.073267      0.359899      3.481026
  H      -0.769376     -1.512950      4.971841
  H      -2.025635     -0.566345      4.144825
  H      -0.930804     -3.298628      3.245205
  H      -2.380763     -3.000678      4.190207
  H      -1.007625     -3.336535      0.833536
  H      -1.024991     -1.596394      1.112036
  H      -1.564508     -2.005711     -1.228460
  H      -2.890101     -3.100415     -0.826635
  H      -3.877942     -0.951514     -1.381162
  H      -2.798172     -0.090228     -0.265383
  H      -5.039337     -0.405699      0.787330
  H      -4.917569     -2.158350      0.571490
  H      -4.269583     -1.387898      2.900395
  H      -2.959172     -0.438476      2.183976
  H     -10.076137     -5.928100      7.134183
  H     -10.383605     -5.662661      5.397810
  H     -10.543088     -7.294492      6.071450
  H      -8.242476     -7.444611      6.337514
  H      -7.786905     -5.145448      7.066984
  H      -6.629538     -5.913982      5.965364
  H      -7.155784     -3.547001      5.495123
  H      -8.827742     -3.939209      5.134869
  H      -8.767720     -6.242399      3.365380
  H      -9.457612     -4.669631      3.023468
  H      -9.331331     -5.597904      0.882719
  H      -7.782957     -6.387926      1.141667
  H      -7.924347     -4.142342     -0.329255
  H      -6.535538     -4.428818      0.731306
  H      -9.015166     -2.852205      1.574817
  H      -7.507070     -2.110512      1.038112
  H      -6.269972     -2.845117      2.899031
  H      -7.814121     -2.376893      3.600976
  H      -2.400262     -1.232193     10.012484
  H      -2.455002      0.119562      8.855697
  H      -0.905003     -0.726956      9.181575
  H      -2.126257     -1.376220      7.074865
  H      -2.030364     -3.547445      9.039007
  H      -0.585135     -2.955406      8.216736
  H      -2.096151     -3.286981      6.024409
  H      -1.047121     -4.550212      6.653671
  H      -1.854668     -6.589281      7.539473
  H      -3.573010     -6.982527      7.443852
  H      -2.991337     -6.986568      9.736134
  H      -2.056047     -5.507199      9.640894
  H      -4.724091     -5.660973     10.532692
  H      -3.921464     -4.174287     10.023454
  H      -6.053973     -4.436664      8.799524
  H      -5.549067     -6.007522      8.185716
  H      -4.297793     -3.260640      7.603341
  H      -5.166584     -4.292471      6.476205
  N      -4.754044     -2.818413      4.716073
  N      -5.007502     -1.814972      5.215844
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.499901206876
  N      -3.411033     -3.836176      2.177942
  C      -3.261790     -4.856672      1.146446
  C      -2.811012     -6.159061      1.788585
  N      -3.722288     -6.476594      2.911994
  C      -4.982397     -7.104323      2.440872
  C      -6.106416     -6.675230      3.363768
  N      -6.093720     -5.211629      3.463634
  Mo     -4.268662     -4.513394      3.865981
  N      -3.314870     -5.385305      5.423854
  C      -2.335984     -6.359520      4.919928
  C      -3.045976     -7.290426      3.953357
  H      -1.904592     -6.980721      5.718654
  H      -1.474103     -5.873202      4.418842
  H      -3.818808     -7.842271      4.507754
  H      -2.360438     -8.020679      3.486238
  H      -7.055692     -7.063761      2.971118
  H      -5.977292     -7.159461      4.353787
  H      -5.190545     -6.734858      1.426349
  H      -4.873355     -8.202738      2.398128
  H      -2.518699     -4.588002      0.385939
  H      -4.217023     -5.016396      0.606215
  H      -1.801510     -6.017404      2.202518
  H      -2.780805     -6.996795      1.066274
  C       1.091981     -1.278296      3.074625
  N      -0.197065     -0.594271      3.115744
  C      -1.187323     -1.266468      3.960043
  C      -1.746520     -2.572691      3.390587
  C      -2.616068     -2.571370      2.103409
  C      -1.679464     -2.457763      0.875040
  C      -2.356722     -2.203067     -0.480709
  C      -3.351428     -1.038726     -0.419022
  C      -4.327274     -1.240458      0.739843
  C      -3.566541     -1.352311      2.060762
  C      -9.957043     -6.366141      6.116534
  N      -8.567798     -6.651960      5.771708
  C      -7.662800     -5.528023      6.031182
  C      -7.800409     -4.336094      5.087750
  C      -7.418660     -4.527570      3.595293
  C      -8.553443     -5.285109      2.866599
  C      -8.335222     -5.465879      1.353889
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  C      -7.923661     -3.000289      1.532740
  C      -7.327439     -3.111937      2.940903
  C      -2.019332     -0.865369      9.064054
  N      -2.372811     -1.789210      7.992139
  C      -1.690043     -3.077055      8.108852
  C      -1.956666     -3.962945      6.882235
  C      -3.148272     -4.959836      6.854958
  C      -2.856051     -6.197420      7.746012
  C      -2.966798     -5.990772      9.265848
  C      -4.217617     -5.187046      9.681443
  C      -5.169187     -5.026160      8.499829
  C      -4.482198     -4.313669      7.331565
  H       1.483667     -1.543927      4.080685
  H       1.831374     -0.638847      2.571520
  H       1.009127     -2.209334      2.495067
  H      -0.057735      0.352351      3.469652
  H      -0.762939     -1.513205      4.964307
  H      -2.016347     -0.563206      4.134192
  H      -0.930818     -3.302236      3.239835
  H      -2.378067     -2.997780      4.187224
  H      -1.013294     -3.336828      0.824198
  H      -1.028953     -1.597606      1.104347
  H      -1.576107     -2.004135     -1.234259
  H      -2.900950     -3.097616     -0.829325
  H      -3.888430     -0.949098     -1.377652
  H      -2.804761     -0.089407     -0.265736
  H      -5.041339     -0.402156      0.794946
  H      -4.923611     -2.154750      0.576531
  H      -4.266824     -1.387942      2.903648
  H      -2.958065     -0.439386      2.184309
  H     -10.081823     -5.924592      7.129144
  H     -10.387388     -5.660091      5.391966
  H     -10.546568     -7.292154      6.066612
  H      -8.246762     -7.440756      6.335281
  H      -7.793955     -5.141634      7.066441
  H      -6.633356     -5.910947      5.968987
  H      -7.154733     -3.545673      5.495364
  H      -8.827017     -3.933846      5.131943
  H      -8.764173     -6.241232      3.364064
  H      -9.453717     -4.668676      3.019055
  H      -9.320714     -5.608411      0.880595
  H      -7.765868     -6.384037      1.145067
  H      -7.931652     -4.137169     -0.329624
  H      -6.534868     -4.419077      0.721517
  H      -9.016220     -2.852699      1.580017
  H      -7.511529     -2.106570      1.039763
  H      -6.265171     -2.846959      2.893625
  H      -7.805617     -2.374233      3.601192
  H      -2.415428     -1.237027     10.023698
  H      -2.473319      0.116680      8.869273
  H      -0.920663     -0.726159      9.193949
  H      -2.143340     -1.373888      7.085290
  H      -2.029607     -3.548005      9.044594
  H      -0.589953     -2.944393      8.220422
  H      -2.093213     -3.283227      6.028167
  H      -1.045158     -4.544614      6.661356
  H      -1.850002     -6.586228      7.538274
  H      -3.567842     -6.982141      7.441879
  H      -2.983941     -6.987692      9.734936
  H      -2.055662     -5.504339      9.641584
  H      -4.725523     -5.672706     10.530461
  H      -3.926821     -4.181273     10.029006
  H      -6.054862     -4.445338      8.799372
  H      -5.547671     -6.013825      8.182621
  H      -4.301007     -3.263683      7.606089
  H      -5.165877     -4.296454      6.476147
  N      -4.750763     -2.816657      4.717342
  N      -5.003356     -1.812223      5.217063
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.499935444314
  N      -3.408539     -3.837784      2.179967
  C      -3.259257     -4.858357      1.148332
  C      -2.809409     -6.161402      1.790440
  N      -3.719228     -6.477251      2.915873
  C      -4.979820     -7.106390      2.446919
  C      -6.103645     -6.674372      3.368781
  N      -6.089849     -5.210596      3.465431
  Mo     -4.263496     -4.514086      3.869175
  N      -3.309670     -5.386766      5.426176
  C      -2.330225     -6.360102      4.921700
  C      -3.040984     -7.291563      3.956163
  H      -1.897345     -6.980568      5.720130
  H      -1.469832     -5.872860      4.419113
  H      -3.812890     -7.844127      4.511060
  H      -2.355739     -8.020860      3.487278
  H      -7.053581     -7.063174      2.977168
  H      -5.974801     -7.156642      4.359975
  H      -5.188121     -6.740410      1.431203
  H      -4.870500     -8.204913      2.407578
  H      -2.515286     -4.589601      0.388608
  H      -4.214429     -5.017663      0.607506
  H      -1.798931     -6.021629      2.202879
  H      -2.782121     -6.999711      1.068642
  C       1.094154     -1.282668      3.055768
  N      -0.191821     -0.593507      3.105869
  C      -1.180914     -1.263489      3.954182
  C      -1.744754     -2.569593      3.388611
  C      -2.616827     -2.571128      2.103232
  C      -1.683984     -2.456210      0.872189
  C      -2.366156     -2.206380     -0.482036
  C      -3.364365     -1.045350     -0.419899
  C      -4.335309     -1.246035      0.743422
  C      -3.569953     -1.354367      2.062056
  C      -9.960474     -6.360231      6.111543
  N      -8.571031     -6.647022      5.768108
  C      -7.666057     -5.523843      6.030054
  C      -7.798017     -4.331682      5.085906
  C      -7.413591     -4.524128      3.594581
  C      -8.546988     -5.280741      2.863147
  C      -8.323052     -5.462155      1.351774
  C      -7.625559     -4.245288      0.715569
  C      -7.923104     -2.993382      1.535658
  C      -7.318539     -3.108670      2.940001
  C      -2.032878     -0.868596      9.074477
  N      -2.387975     -1.792385      8.002816
  C      -1.693919     -3.074906      8.112566
  C      -1.955942     -3.962042      6.886417
  C      -3.145936     -4.961410      6.857482
  C      -2.851820     -6.198148      7.748459
  C      -2.966910     -5.993054      9.268422
  C      -4.221771     -5.195237      9.682817
  C      -5.171095     -5.034423      8.499059
  C      -4.482720     -4.319636      7.332535
  H       1.490929     -1.550856      4.058939
  H       1.833098     -0.646096      2.548505
  H       1.003417     -2.212912      2.475734
  H      -0.046133      0.351569      3.462517
  H      -0.754028     -1.510410      4.956935
  H      -2.007421     -0.558004      4.130440
  H      -0.931048     -3.301578      3.238999
  H      -2.375901     -2.990152      4.188031
  H      -1.014338     -3.332484      0.820889
  H      -1.036112     -1.593149      1.098094
  H      -1.588695     -2.006154     -1.238421
  H      -2.908023     -3.103361     -0.827879
  H      -3.905680     -0.961548     -1.376786
  H      -2.820722     -0.093436     -0.272434
  H      -5.049387     -0.407915      0.799827
  H      -4.931808     -2.160885      0.583925
  H      -4.267697     -1.390486      2.907185
  H      -2.963347     -0.439839      2.183070
  H     -10.085983     -5.919117      7.124418
  H     -10.390165     -5.653798      5.387013
  H     -10.549878     -7.285994      6.060686
  H      -8.250812     -7.436195      6.331694
  H      -7.800636     -5.136832      7.064462
  H      -6.636616     -5.907579      5.972187
  H      -7.149231     -3.544474      5.495038
  H      -8.822944     -3.924385      5.128239
  H      -8.759058     -6.236592      3.360313
  H      -9.447260     -4.663570      3.012490
  H      -9.305490     -5.618735      0.876533
  H      -7.741567     -6.373881      1.147782
  H      -7.943849     -4.123721     -0.330239
  H      -6.534443     -4.401302      0.704465
  H      -9.015901     -2.848089      1.589837
  H      -7.515797     -2.096583      1.043945
  H      -6.254816     -2.849108      2.885926
  H      -7.789178     -2.368351      3.603155
  H      -2.424527     -1.242960     10.035743
  H      -2.488404      0.113286      8.882984
  H      -0.934080     -0.727688      9.199243
  H      -2.166269     -1.372768      7.095404
  H      -2.024717     -3.551311      9.049299
  H      -0.594529     -2.931428      8.218820
  H      -2.087136     -3.284010      6.029814
  H      -1.042770     -4.542916      6.671211
  H      -1.844608     -6.583684      7.541422
  H      -3.561081     -6.983923      7.442318
  H      -2.980850     -6.989618      9.736287
  H      -2.059537     -5.503252      9.646688
  H      -4.731100     -5.685253     10.528955
  H      -3.935840     -4.189406     10.035514
  H      -6.057506     -4.454057      8.798555
  H      -5.550101     -6.021960      8.180049
  H      -4.304637     -3.269293      7.608577
  H      -5.164736     -4.303520      6.475628
  N      -4.743623     -2.817283      4.720281
  N      -4.995404     -1.812355      5.220661
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.499958616687
  N      -3.404980     -3.840550      2.182477
  C      -3.254855     -4.860410      1.150131
  C      -2.808914     -6.164880      1.792061
  N      -3.720233     -6.479809      2.916833
  C      -4.981060     -7.108166      2.446701
  C      -6.104603     -6.674978      3.368314
  N      -6.089448     -5.211204      3.464166
  Mo     -4.262217     -4.517152      3.870170
  N      -3.309827     -5.391118      5.427341
  C      -2.331547     -6.365796      4.923266
  C      -3.043323     -7.295803      3.956947
  H      -1.900252     -6.987023      5.721988
  H      -1.469982     -5.879848      4.421351
  H      -3.816213     -7.847622      4.511169
  H      -2.359136     -8.025722      3.487456
  H      -7.054835     -7.063411      2.977510
  H      -5.975914     -7.156574      4.359590
  H      -5.188229     -6.741915      1.431007
  H      -4.872194     -8.206702      2.407345
  H      -2.507718     -4.592182      0.393596
  H      -4.208274     -5.017113      0.605796
  H      -1.798593     -6.027320      2.205480
  H      -2.782827     -7.002918      1.069994
  C       1.088401     -1.275187      3.062151
  N      -0.197776     -0.585905      3.107792
  C      -1.188717     -1.254510      3.955321
  C      -1.749514     -2.562674      3.391935
  C      -2.618124     -2.570531      2.104388
  C      -1.682065     -2.454740      0.875684
  C      -2.360077     -2.207904     -0.481189
  C      -3.362245     -1.050311     -0.423203
  C      -4.336442     -1.253418      0.737057
  C      -3.575727     -1.357581      2.058605
  C      -9.961957     -6.356890      6.112514
  N      -8.572843     -6.644275      5.767173
  C      -7.666955     -5.521769      6.029204
  C      -7.796417     -4.329525      5.084571
  C      -7.412084     -4.522661      3.593263
  C      -8.546935     -5.278091      2.862178
  C      -8.324170     -5.459488      1.350593
  C      -7.630355     -4.240872      0.713035
  C      -7.924292     -2.990047      1.536349
  C      -7.314763     -3.107356      2.938210
  C      -2.025099     -0.869926      9.071336
  N      -2.387594     -1.793700      8.001741
  C      -1.691204     -3.075851      8.108489
  C      -1.955007     -3.964012      6.883676
  C      -3.144475     -4.963900      6.858155
  C      -2.848686     -6.199447      7.750108
  C      -2.965483     -5.994535      9.270122
  C      -4.221223     -5.197783      9.683789
  C      -5.169934     -5.038172      8.499460
  C      -4.481273     -4.322443      7.333828
  H       1.483501     -1.540598      4.066646
  H       1.828261     -0.640321      2.554435
  H       0.998456     -2.206698      2.484351
  H      -0.052876      0.359594      3.463496
  H      -0.764507     -1.498694      4.960150
  H      -2.016061     -0.549186      4.127820
  H      -0.934977     -3.294685      3.247834
  H      -2.383429     -2.979530      4.190723
  H      -1.010000     -3.329257      0.827488
  H      -1.037027     -1.589796      1.102699
  H      -1.580499     -2.005346     -1.234817
  H      -2.897395     -3.106759     -0.828961
  H      -3.900474     -0.969070     -1.381883
  H      -2.822484     -0.096603     -0.274497
  H      -5.054261     -0.418494      0.789955
  H      -4.928412     -2.170843      0.576561
  H      -4.276988     -1.395952      2.900853
  H      -2.973466     -0.440582      2.181684
  H     -10.085764     -5.916721      7.125781
  H     -10.392285     -5.649309      5.389492
  H     -10.551942     -7.282374      6.061504
  H      -8.252234     -7.433943      6.329753
  H      -7.802345     -5.134142      7.063137
  H      -6.637796     -5.906476      5.972502
  H      -7.146181     -3.543397      5.493651
  H      -8.820676     -3.920201      5.126387
  H      -8.759413     -6.233967      3.359283
  H      -9.446744     -4.660524      3.012144
  H      -9.306786     -5.619754      0.876795
  H      -7.740026     -6.369495      1.146454
  H      -7.953855     -4.117608     -0.331029
  H      -6.539292     -4.396436      0.695425
  H      -9.016834     -2.844630      1.595145
  H      -7.518801     -2.092431      1.044413
  H      -6.250622     -2.851114      2.880240
  H      -7.780703     -2.365452      3.602621
  H      -2.409889     -1.245033     10.035196
  H      -2.481473      0.112099      8.883625
  H      -0.925416     -0.729878      9.187495
  H      -2.168427     -1.373766      7.093906
  H      -2.018167     -3.553588      9.045682
  H      -0.591890     -2.929771      8.210938
  H      -2.087497     -3.287067      6.026184
  H      -1.041638     -4.544836      6.667665
  H      -1.840556     -6.583580      7.543518
  H      -3.556966     -6.986298      7.443850
  H      -2.979775     -6.991423      9.737258
  H      -2.058880     -5.504468      9.649860
  H      -4.730622     -5.688006     10.529924
  H      -3.936672     -4.191499     10.036416
  H      -6.056650     -4.458284      8.798404
  H      -5.548523     -6.025544      8.180315
  H      -4.303115     -3.272498      7.611663
  H      -5.163266     -4.305259      6.476937
  N      -4.739873     -2.819747      4.721424
  N      -4.990537     -1.814978      5.222327
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.499995919507
  N      -3.398359     -3.845618      2.187684
  C      -3.247505     -4.864229      1.154059
  C      -2.808596     -6.171328      1.795345
  N      -3.721822     -6.485039      2.919530
  C      -4.983845     -7.111351      2.448217
  C      -6.106089     -6.675984      3.370589
  N      -6.087482     -5.212217      3.466147
  Mo     -4.258419     -4.522764      3.873092
  N      -3.307882     -5.399161      5.429871
  C      -2.331949     -6.376031      4.925888
  C      -3.046391     -7.303686      3.958998
  H      -1.902518     -6.998221      5.724880
  H      -1.468813     -5.892405      4.424202
  H      -3.820502     -7.854038      4.513000
  H      -2.364550     -8.034869      3.488025
  H      -7.057843     -7.063186      2.981657
  H      -5.976816     -7.157306      4.362017
  H      -5.189275     -6.744323      1.432473
  H      -4.876550     -8.209938      2.408549
  H      -2.494571     -4.596983      0.403027
  H      -4.197994     -5.015748      0.603554
  H      -1.798235     -6.037856      2.209940
  H      -2.785067     -7.008535      1.072371
  C       1.078933     -1.263588      3.070749
  N      -0.206798     -0.572835      3.107090
  C      -1.201459     -1.236544      3.954129
  C      -1.759218     -2.548597      3.397606
  C      -2.620765     -2.569528      2.105827
  C      -1.678902     -2.454327      0.881378
  C      -2.349608     -2.215327     -0.480647
  C      -3.359666     -1.064220     -0.432426
  C      -4.339729     -1.270782      0.722337
  C      -3.587254     -1.364218      2.049366
  C      -9.969073     -6.347142      6.112558
  N      -8.581448     -6.639087      5.765543
  C      -7.672281     -5.519522      6.029063
  C      -7.794471     -4.326302      5.084129
  C      -7.407651     -4.519116      3.593647
  C      -8.543051     -5.270471      2.859279
  C      -8.317291     -5.449418      1.348265
  C      -7.635977     -4.223096      0.711090
  C      -7.925809     -2.978147      1.544804
  C      -7.303961     -3.103261      2.940272
  C      -2.020626     -0.868887      9.064096
  N      -2.394076     -1.795269      7.999941
  C      -1.689033     -3.073977      8.101544
  C      -1.954078     -3.965719      6.879672
  C      -3.140119     -4.969152      6.859847
  C      -2.837283     -6.202288      7.752665
  C      -2.958919     -5.999858      9.272615
  C      -4.220431     -5.211554      9.684936
  C      -5.166997     -5.053600      8.498733
  C      -4.478209     -4.331705      7.337382
  H       1.470408     -1.522731      4.077952
  H       1.820922     -0.633103      2.561532
  H       0.990092     -2.198121      2.498040
  H      -0.062612      0.373931      3.459435
  H      -0.782761     -1.474628      4.962903
  H      -2.029060     -0.530181      4.118911
  H      -0.945231     -3.283092      3.266059
  H      -2.400222     -2.953846      4.196281
  H      -1.002938     -3.326140      0.840470
  H      -1.038717     -1.585755      1.108745
  H      -1.566383     -2.009415     -1.229572
  H      -2.878316     -3.118561     -0.830111
  H      -3.892231     -0.989034     -1.394655
  H      -2.827353     -0.106542     -0.282637
  H      -5.065592     -0.442582      0.766911
  H      -4.922203     -2.194272      0.561931
  H      -4.294637     -1.406026      2.886493
  H      -2.993668     -0.441867      2.174487
  H     -10.090087     -5.908642      7.127031
  H     -10.396688     -5.635808      5.391730
  H     -10.562687     -7.269944      6.059598
  H      -8.262509     -7.430391      6.327092
  H      -7.809877     -5.130894      7.062268
  H      -6.644172     -5.907497      5.975781
  H      -7.141792     -3.542924      5.494848
  H      -8.817303     -3.912512      5.123272
  H      -8.758188     -6.226991      3.353882
  H      -9.442652     -4.652507      3.008638
  H      -9.297476     -5.622425      0.874586
  H      -7.721852     -6.352352      1.145481
  H      -7.971187     -4.093948     -0.328622
  H      -6.544706     -4.373931      0.678851
  H      -9.018162     -2.835178      1.614348
  H      -7.526676     -2.076520      1.055113
  H      -6.237975     -2.856326      2.871870
  H      -7.756790     -2.357812      3.609978
  H      -2.389427     -1.246796     10.032686
  H      -2.483331      0.111231      8.883441
  H      -0.920570     -0.725098      9.162658
  H      -2.182011     -1.375186      7.090017
  H      -2.006215     -3.554750      9.040041
  H      -0.590118     -2.919109      8.195415
  H      -2.090114     -3.291751      6.020207
  H      -1.039151     -4.544674      6.663236
  H      -1.826151     -6.579159      7.547875
  H      -3.539610     -6.993685      7.444910
  H      -2.968720     -6.997831      9.737657
  H      -2.056348     -5.504942      9.655825
  H      -4.729525     -5.707173     10.528229
  H      -3.942864     -4.204572     10.041412
  H      -6.056002     -4.476973      8.796947
  H      -5.542476     -6.041008      8.176640
  H      -4.301484     -3.283217      7.621898
  H      -5.159816     -4.310838      6.480261
  N      -4.731814     -2.824149      4.724649
  N      -4.979635     -1.819334      5.226320
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.500028960815
  N      -3.391562     -3.849645      2.191277
  C      -3.241410     -4.868414      1.157501
  C      -2.806600     -6.177029      1.798701
  N      -3.719033     -6.489057      2.924418
  C      -4.982407     -7.115137      2.455622
  C      -6.102588     -6.676215      3.378894
  N      -6.082032     -5.212164      3.471534
  Mo     -4.251363     -4.525767      3.876633
  N      -3.301261     -5.402989      5.432838
  C      -2.326145     -6.380648      4.929107
  C      -3.042493     -7.308102      3.963281
  H      -1.896437     -7.002218      5.728478
  H      -1.463097     -5.898007      4.426130
  H      -3.816278     -7.857748      4.518486
  H      -2.362045     -8.039757      3.491031
  H      -7.055431     -7.063952      2.993774
  H      -5.970680     -7.155198      4.370803
  H      -5.187971     -6.750994      1.439022
  H      -4.876185     -8.213887      2.418836
  H      -2.485145     -4.602557      0.409186
  H      -4.190787     -5.016898      0.604042
  H      -1.795348     -6.046728      2.212146
  H      -2.786442     -7.014016      1.075429
  C       1.079856     -1.269229      3.066147
  N      -0.201759     -0.570124      3.095992
  C      -1.202097     -1.223096      3.944699
  C      -1.764153     -2.537449      3.398255
  C      -2.621569     -2.569169      2.104389
  C      -1.678056     -2.455276      0.881124
  C      -2.347124     -2.224682     -0.483359
  C      -3.364258     -1.079425     -0.441698
  C      -4.345640     -1.287185      0.711835
  C      -3.595327     -1.370228      2.040886
  C      -9.980491     -6.341099      6.103074
  N      -8.592498     -6.636879      5.758831
  C      -7.680488     -5.521351      6.029418
  C      -7.791507     -4.325165      5.086691
  C      -7.400665     -4.515211      3.596769
  C      -8.535151     -5.262029      2.856284
  C      -8.303900     -5.434326      1.345822
  C      -7.648652     -4.191881      0.710416
  C      -7.934769     -2.959148      1.563126
  C      -7.291166     -3.097242      2.946806
  C      -2.036158     -0.866158      9.065795
  N      -2.414485     -1.796200      8.006049
  C      -1.693007     -3.066746      8.100420
  C      -1.953748     -3.961668      6.880323
  C      -3.134209     -4.971105      6.862137
  C      -2.823163     -6.202275      7.755124
  C      -2.951233     -6.003229      9.274910
  C      -4.222619     -5.229263      9.684779
  C      -5.164744     -5.072772      8.494787
  C      -4.475616     -4.341182      7.340122
  H       1.468482     -1.524414      4.075499
  H       1.826641     -0.646975      2.553781
  H       0.985665     -2.206311      2.498839
  H      -0.052173      0.377176      3.444391
  H      -0.788929     -1.455469      4.957304
  H      -2.026825     -0.511426      4.101354
  H      -0.954316     -3.278244      3.278303
  H      -2.411723     -2.927335      4.199077
  H      -0.998594     -3.324618      0.845205
  H      -1.041531     -1.583251      1.105790
  H      -1.563319     -2.016487     -1.231157
  H      -2.869480     -3.132229     -0.831387
  H      -3.895288     -1.011170     -1.405369
  H      -2.838105     -0.117896     -0.294367
  H      -5.077051     -0.463569      0.751052
  H      -4.921930     -2.215418      0.554577
  H      -4.304393     -1.413663      2.876696
  H      -3.008347     -0.443334      2.164290
  H     -10.102691     -5.906680      7.119167
  H     -10.403153     -5.624400      5.384859
  H     -10.577516     -7.261234      6.043661
  H      -8.277206     -7.431230      6.317909
  H      -7.822851     -5.134078      7.062499
  H      -6.653607     -5.913119      5.981473
  H      -7.135009     -3.547507      5.501899
  H      -8.811731     -3.904509      5.122887
  H      -8.752680     -6.220604      3.346105
  H      -9.435586     -4.645188      3.005292
  H      -9.279079     -5.631064      0.871020
  H      -7.686845     -6.322760      1.144846
  H      -8.005242     -4.053866     -0.321150
  H      -6.556466     -4.328905      0.653722
  H      -9.026521     -2.823251      1.650497
  H      -7.548069     -2.049332      1.078640
  H      -6.223798     -2.862898      2.859499
  H      -7.722415     -2.348239      3.626329
  H      -2.386716     -1.249031     10.039234
  H      -2.510799      0.109404      8.892340
  H      -0.936365     -0.712064      9.147728
  H      -2.214175     -1.373830      7.094684
  H      -1.995920     -3.553647      9.040288
  H      -0.595906     -2.896719      8.185131
  H      -2.091136     -3.290562      6.018298
  H      -1.035620     -4.537172      6.667391
  H      -1.808156     -6.570326      7.552388
  H      -3.518175     -6.999388      7.444807
  H      -2.952035     -7.002279      9.738026
  H      -2.055176     -5.499265      9.662021
  H      -4.732012     -5.735116     10.522041
  H      -3.956705     -4.221887     10.049424
  H      -6.057878     -4.502259      8.791603
  H      -5.534056     -6.060409      8.167142
  H      -4.302718     -3.294515      7.633157
  H      -5.155386     -4.316369      6.481535
  N      -4.722675     -2.826816      4.728922
  N      -4.968554     -1.822271      5.231537
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.500053528890
  N      -3.385032     -3.854317      2.195459
  C      -3.234539     -4.873003      1.161724
  C      -2.803411     -6.182477      1.803204
  N      -3.717200     -6.493495      2.928194
  C      -4.981380     -7.117519      2.458302
  C      -6.101820     -6.676664      3.380570
  N      -6.078508     -5.212640      3.474812
  Mo     -4.246805     -4.529661      3.879584
  N      -3.298752     -5.407768      5.436199
  C      -2.325069     -6.387420      4.933819
  C      -3.042493     -7.313550      3.967575
  H      -1.897442     -7.009467      5.733943
  H      -1.460413     -5.906695      4.431552
  H      -3.817623     -7.861654      4.522551
  H      -2.363229     -8.046504      3.495665
  H      -7.055308     -7.062686      2.994492
  H      -5.970958     -7.156808      4.372320
  H      -5.184794     -6.754083      1.440914
  H      -4.877095     -8.216446      2.422365
  H      -2.475022     -4.608418      0.416226
  H      -4.182385     -5.019426      0.605169
  H      -1.792171     -6.054646      2.217378
  H      -2.784583     -7.018985      1.079389
  C       1.079425     -1.274302      3.066354
  N      -0.198629     -0.568384      3.088333
  C      -1.204653     -1.211551      3.937279
  C      -1.769812     -2.528321      3.400061
  C      -2.622479     -2.569722      2.103793
  C      -1.676946     -2.457268      0.882062
  C      -2.344264     -2.234610     -0.484761
  C      -3.367658     -1.094638     -0.449533
  C      -4.350888     -1.303303      0.702215
  C      -3.602822     -1.376671      2.033102
  C      -9.987096     -6.340613      6.092865
  N      -8.599876     -6.640591      5.750121
  C      -7.684770     -5.529331      6.027771
  C      -7.789271     -4.328547      5.089769
  C      -7.395667     -4.512615      3.599990
  C      -8.528689     -5.253586      2.852262
  C      -8.291876     -5.415498      1.342177
  C      -7.658927     -4.157912      0.712630
  C      -7.942033     -2.937971      1.584104
  C      -7.280682     -3.091397      2.957114
  C      -2.045442     -0.860415      9.060900
  N      -2.429193     -1.795623      8.007616
  C      -1.694860     -3.059283      8.096415
  C      -1.955265     -3.957744      6.878492
  C      -3.131127     -4.972520      6.864359
  C      -2.811671     -6.200690      7.759012
  C      -2.944204     -6.002820      9.278463
  C      -4.223166     -5.240070      9.686163
  C      -5.162909     -5.087316      8.493784
  C      -4.474713     -4.348319      7.343436
  H       1.464739     -1.524537      4.078388
  H       1.830295     -0.659210      2.551145
  H       0.981698     -2.214763      2.505024
  H      -0.045299      0.379916      3.432311
  H      -0.797597     -1.437985      4.953620
  H      -2.027259     -0.495645      4.085029
  H      -0.963712     -3.274633      3.291043
  H      -2.423848     -2.905482      4.201797
  H      -0.994740     -3.324699      0.851121
  H      -1.043402     -1.582446      1.104133
  H      -1.559845     -2.024636     -1.231393
  H      -2.861048     -3.146019     -0.830887
  H      -3.896512     -1.032019     -1.414787
  H      -2.846714     -0.130024     -0.303916
  H      -5.087017     -0.483627      0.736216
  H      -4.921963     -2.235474      0.547746
  H      -4.312868     -1.421029      2.867961
  H      -3.021718     -0.445711      2.154046
  H     -10.109428     -5.910614      7.110943
  H     -10.404407     -5.618158      5.377297
  H     -10.588312     -7.257415      6.027251
  H      -8.288600     -7.438575      6.306414
  H      -7.829122     -5.145735      7.061963
  H      -6.658759     -5.923827      5.981473
  H      -7.130295     -3.555428      5.509795
  H      -8.808001     -3.903703      5.125331
  H      -8.748015     -6.215247      3.334873
  H      -9.430216     -4.638613      3.002602
  H      -9.261776     -5.630683      0.864837
  H      -7.656272     -6.290546      1.140870
  H      -8.032800     -4.009840     -0.311301
  H      -6.566269     -4.282301      0.636047
  H      -9.033171     -2.807579      1.686041
  H      -7.564782     -2.020440      1.106905
  H      -6.212033     -2.868419      2.853975
  H      -7.692472     -2.341370      3.647478
  H      -2.376976     -1.246068     10.039346
  H      -2.532576      0.109876      8.893249
  H      -0.946492     -0.695191      9.126293
  H      -2.241135     -1.373661      7.093226
  H      -1.984404     -3.549268      9.038802
  H      -0.598703     -2.878001      8.171530
  H      -2.097023     -3.289911      6.014725
  H      -1.034758     -4.529961      6.666101
  H      -1.793226     -6.560437      7.558165
  H      -3.499196     -7.004128      7.448112
  H      -2.937608     -7.002208      9.741158
  H      -2.053265     -5.491358      9.667702
  H      -4.731094     -5.752439     10.520273
  H      -3.966222     -4.231657     10.054204
  H      -6.060243     -4.522725      8.789185
  H      -5.525313     -6.076300      8.162813
  H      -4.304515     -3.303004      7.642607
  H      -5.153661     -4.320603      6.484316
  N      -4.717294     -2.830529      4.731978
  N      -4.961546     -1.825882      5.234917
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.500076733008
  N      -3.381905     -3.855428      2.197332
  C      -3.230508     -4.873452      1.163257
  C      -2.800756     -6.183223      1.804702
  N      -3.717167     -6.495170      2.926916
  C      -4.980919     -7.116517      2.453334
  C      -6.103110     -6.677221      3.374069
  N      -6.079040     -5.213555      3.473166
  Mo     -4.247755     -4.531774      3.879032
  N      -3.302057     -5.410605      5.436668
  C      -2.329631     -6.392202      4.935968
  C      -3.046342     -7.316288      3.967453
  H      -1.905749     -7.015885      5.736782
  H      -1.462268     -5.913198      4.436627
  H      -3.823739     -7.863173      4.520541
  H      -2.367171     -8.050476      3.497339
  H      -7.055707     -7.061077      2.983708
  H      -5.975263     -7.160813      4.364528
  H      -5.181753     -6.750777      1.436264
  H      -4.878133     -8.215516      2.415133
  H      -2.469668     -4.608994      0.418966
  H      -4.177488     -5.019499      0.605120
  H      -1.790459     -6.055906      2.221255
  H      -2.780245     -7.018916      1.079910
  C       1.080508     -1.277388      3.076854
  N      -0.196630     -0.569689      3.091533
  C      -1.206752     -1.208779      3.938128
  C      -1.772206     -2.526299      3.403168
  C      -2.621282     -2.569797      2.104854
  C      -1.673361     -2.458390      0.884922
  C      -2.338508     -2.237311     -0.483343
  C      -3.362317     -1.097532     -0.451113
  C      -4.348235     -1.305487      0.698449
  C      -3.602581     -1.377749      2.030771
  C      -9.986161     -6.345721      6.088064
  N      -8.598971     -6.646663      5.745620
  C      -7.682271     -5.537557      6.026963
  C      -7.787428     -4.333684      5.093270
  C      -7.396354     -4.513762      3.602152
  C      -8.530702     -5.252733      2.854297
  C      -8.296921     -5.409489      1.343038
  C      -7.669508     -4.147727      0.715732
  C      -7.949334     -2.931101      1.593627
  C      -7.281237     -3.090731      2.962656
  C      -2.044905     -0.854696      9.049502
  N      -2.430504     -1.793680      8.000689
  C      -1.695072     -3.056574      8.090812
  C      -1.957687     -3.956494      6.874356
  C      -3.132275     -4.972668      6.863830
  C      -2.809240     -6.198712      7.760457
  C      -2.940605     -5.998446      9.279708
  C      -4.219870     -5.235923      9.687265
  C      -5.161402     -5.087578      8.495662
  C      -4.475180     -4.348428      7.344144
  H       1.462567     -1.523397      4.091339
  H       1.833469     -0.665318      2.560912
  H       0.983496     -2.220574      2.519879
  H      -0.043575      0.379728      3.432532
  H      -0.804324     -1.432756      4.956779
  H      -2.029151     -0.491588      4.080235
  H      -0.967575     -3.274770      3.298543
  H      -2.429632     -2.900730      4.203479
  H      -0.991480     -3.326280      0.856242
  H      -1.039697     -1.583661      1.106992
  H      -1.552899     -2.027879     -1.228841
  H      -2.854689     -3.149273     -0.828904
  H      -3.888687     -1.034698     -1.417842
  H      -2.841343     -0.132968     -0.304390
  H      -5.084234     -0.485622      0.730309
  H      -4.919641     -2.237291      0.543384
  H      -4.313314     -1.421489      2.865123
  H      -3.022196     -0.446263      2.151200
  H     -10.108888     -5.918956      7.107257
  H     -10.401457     -5.619982      5.374638
  H     -10.589177     -7.261174      6.018539
  H      -8.289550     -7.447066      6.299460
  H      -7.824599     -5.157686      7.062962
  H      -6.656765     -5.932852      5.977701
  H      -7.127682     -3.562140      5.514797
  H      -8.805677     -3.908606      5.131744
  H      -8.749221     -6.216193      3.334172
  H      -9.432440     -4.638991      3.008766
  H      -9.266906     -5.627023      0.866900
  H      -7.658109     -6.281546      1.138220
  H      -8.048542     -3.995570     -0.305799
  H      -6.576905     -4.269781      0.633175
  H      -9.039875     -2.800494      1.701010
  H      -7.573728     -2.011674      1.118308
  H      -6.212452     -2.871915      2.853207
  H      -7.684891     -2.340956      3.658113
  H      -2.368240     -1.238921     10.030908
  H      -2.538463      0.112701      8.882186
  H      -0.946291     -0.683830      9.108511
  H      -2.246302     -1.374809      7.084176
  H      -1.981780     -3.544932      9.035015
  H      -0.598845     -2.875439      8.163453
  H      -2.104441     -3.290066      6.010669
  H      -1.037014     -4.527378      6.659930
  H      -1.789923     -6.556310      7.559722
  H      -3.494330     -7.005212      7.451795
  H      -2.933014     -6.997241      9.744118
  H      -2.049502     -5.485777      9.667386
  H      -4.725341     -5.746159     10.523946
  H      -3.962789     -4.226062     10.050805
  H      -6.060444     -4.525227      8.790479
  H      -5.520154     -6.078361      8.166031
  H      -4.304382     -3.303259      7.643191
  H      -5.155031     -4.320224      6.485822
  N      -4.719495     -2.833069      4.731387
  N      -4.963610     -1.828465      5.234038
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.500101875968
  N      -3.378513     -3.857187      2.199579
  C      -3.226046     -4.875173      1.165955
  C      -2.795376     -6.184126      1.808371
  N      -3.714649     -6.496956      2.927332
  C      -4.977291     -7.115648      2.449297
  C      -6.102723     -6.677971      3.366431
  N      -6.078299     -5.214710      3.471155
  Mo     -4.247971     -4.534031      3.879646
  N      -3.305178     -5.412713      5.439284
  C      -2.333764     -6.396558      4.940993
  C      -3.048789     -7.318667      3.969756
  H      -1.914777     -7.022333      5.742685
  H      -1.463062     -5.919441      4.445738
  H      -3.829051     -7.864006      4.520288
  H      -2.369242     -8.054458      3.502698
  H      -7.053153     -7.058847      2.968773
  H      -5.980948     -7.165746      4.355378
  H      -5.174352     -6.748349      1.432195
  H      -4.876137     -8.214826      2.409471
  H      -2.465739     -4.610676      0.421149
  H      -4.172950     -5.023080      0.607975
  H      -1.786406     -6.055808      2.227737
  H      -2.771644     -7.019561      1.083316
  C       1.087692     -1.294039      3.081665
  N      -0.185611     -0.579866      3.090252
  C      -1.201649     -1.210248      3.935726
  C      -1.772321     -2.526805      3.404660
  C      -2.619640     -2.570759      2.105694
  C      -1.672004     -2.458576      0.886013
  C      -2.338583     -2.237882     -0.481479
  C      -3.362649     -1.098189     -0.448276
  C      -4.348718     -1.306341      0.700880
  C      -3.602044     -1.379491      2.032330
  C      -9.986521     -6.355194      6.074203
  N      -8.599420     -6.657854      5.734652
  C      -7.680786     -5.552119      6.022986
  C      -7.786727     -4.343342      5.095947
  C      -7.396430     -4.516156      3.603812
  C      -8.530328     -5.252062      2.852870
  C      -8.298360     -5.398053      1.340586
  C      -7.685079     -4.126449      0.718968
  C      -7.962506     -2.919092      1.610211
  C      -7.281425     -3.089712      2.971151
  C      -2.050505     -0.842661      9.034491
  N      -2.434677     -1.789236      7.992716
  C      -1.696623     -3.049663      8.086066
  C      -1.960635     -3.952893      6.871848
  C      -3.133854     -4.971635      6.865375
  C      -2.805767     -6.194594      7.764480
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  C      -5.159084     -5.088601      8.500494
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  H       1.466702     -1.536334      4.098218
  H       1.844137     -0.688163      2.563598
  H       0.987351     -2.240444      2.530400
  H      -0.028883      0.370529      3.427069
  H      -0.803764     -1.432351      4.956038
  H      -2.021151     -0.488891      4.071661
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  H      -2.434286     -2.897083      4.202938
  H      -0.990086     -3.326551      0.856747
  H      -1.037968     -1.584106      1.107591
  H      -1.553802     -2.028259     -1.227615
  H      -2.855129     -3.150194     -0.825734
  H      -3.888632     -1.033877     -1.415006
  H      -2.841072     -0.134022     -0.300598
  H      -5.083629     -0.485351      0.733682
  H      -4.921823     -2.236810      0.544996
  H      -4.310714     -1.423396      2.868163
  H      -3.021803     -0.447738      2.151264
  H     -10.111575     -5.932695      7.094928
  H     -10.397505     -5.625242      5.362184
  H     -10.592198     -7.268667      5.998724
  H      -8.294588     -7.461887      6.285673
  H      -7.820972     -5.178553      7.061818
  H      -6.655815     -5.948056      5.970320
  H      -7.127037     -3.573645      5.521301
  H      -8.804807     -3.918498      5.137492
  H      -8.746730     -6.219075      3.326192
  H      -9.433131     -4.641311      3.012802
  H      -9.266534     -5.623493      0.864764
  H      -7.650044     -6.261743      1.130779
  H      -8.074963     -3.966544     -0.297179
  H      -6.592429     -4.240781      0.624772
  H      -9.052293     -2.791648      1.727391
  H      -7.592557     -1.994782      1.140143
  H      -6.212081     -2.877183      2.849966
  H      -7.671342     -2.341208      3.676227
  H      -2.365579     -1.223398     10.019305
  H      -2.553823      0.119716      8.865005
  H      -0.952687     -0.661755      9.088230
  H      -2.256532     -1.375558      7.073118
  H      -1.979879     -3.534640      9.033128
  H      -0.599951     -2.867797      8.156342
  H      -2.113139     -3.289222      6.007612
  H      -1.039137     -4.521906      6.655783
  H      -1.785381     -6.549476      7.563107
  H      -3.487860     -7.005394      7.459776
  H      -2.923008     -6.986566      9.751494
  H      -2.043771     -5.473177      9.667190
  H      -4.716080     -5.736257     10.531664
  H      -3.958848     -4.216455     10.047876
  H      -6.061518     -4.531209      8.794372
  H      -5.510505     -6.082678      8.172835
  H      -4.306534     -3.303188      7.645253
  H      -5.157546     -4.321611      6.489688
  N      -4.723089     -2.836185      4.731576
  N      -4.968939     -1.831437      5.233591
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.500109872739
  N      -3.376941     -3.857905      2.200398
  C      -3.223207     -4.875661      1.166829
  C      -2.792417     -6.184332      1.809728
  N      -3.713428     -6.497445      2.926951
  C      -4.975643     -7.114767      2.446353
  C      -6.102873     -6.678068      3.361801
  N      -6.077642     -5.215047      3.469989
  Mo     -4.247572     -4.535186      3.879654
  N      -3.305739     -5.414002      5.439957
  C      -2.335199     -6.399070      4.942661
  C      -3.049969     -7.319913      3.970040
  H      -1.918820     -7.026182      5.744658
  H      -1.462803     -5.923105      4.449345
  H      -3.831561     -7.864639      4.519208
  H      -2.370458     -8.056387      3.503975
  H      -7.052650     -7.056719      2.959825
  H      -5.985081     -7.168603      4.350037
  H      -5.170854     -6.745848      1.429431
  H      -4.875180     -8.213996      2.404998
  H      -2.462682     -4.610827      0.422366
  H      -4.169657     -5.024286      0.608244
  H      -1.784282     -6.055345      2.230835
  H      -2.766887     -7.019816      1.084747
  C       1.091232     -1.298478      3.083153
  N      -0.181115     -0.582707      3.089529
  C      -1.199066     -1.210325      3.935127
  C      -1.771507     -2.526625      3.405115
  C      -2.618768     -2.571138      2.106075
  C      -1.671881     -2.458573      0.885836
  C      -2.339440     -2.238614     -0.481348
  C      -3.363106     -1.098825     -0.447813
  C      -4.348718     -1.306559      0.701875
  C      -3.601658     -1.380207      2.033135
  C      -9.985862     -6.358451      6.069657
  N      -8.598159     -6.660830      5.731295
  C      -7.679027     -5.556207      6.022400
  C      -7.784535     -4.345696      5.097836
  C      -7.395552     -4.516405      3.604934
  C      -8.530409     -5.251312      2.854442
  C      -8.301030     -5.394639      1.341490
  C      -7.691946     -4.120417      0.720475
  C      -7.967087     -2.915324      1.616058
  C      -7.280020     -3.089259      2.973434
  C      -2.054665     -0.839015      9.029606
  N      -2.437776     -1.788129      7.990075
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  C      -1.961777     -3.952161      6.871553
  C      -3.134189     -4.971877      6.865779
  C      -2.805103     -6.193589      7.765800
  C      -2.933035     -5.986952      9.284573
  C      -4.213061     -5.225201      9.691850
  C      -5.158546     -5.087986      8.501926
  C      -4.477142     -4.349290      7.347076
  H       1.469238     -1.539068      4.100544
  H       1.848984     -0.694796      2.564152
  H       0.989774     -2.246149      2.534264
  H      -0.023431      0.368108      3.424678
  H      -0.801703     -1.432045      4.955891
  H      -2.017644     -0.487369      4.069599
  H      -0.972117     -3.281500      3.306021
  H      -2.434769     -2.895968      4.202696
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  H      -1.038254     -1.583732      1.106977
  H      -1.555357     -2.029422     -1.228318
  H      -2.856367     -3.150903     -0.824663
  H      -3.889390     -1.034524     -1.414399
  H      -2.841253     -0.134795     -0.300531
  H      -5.082787     -0.484862      0.735200
  H      -4.922927     -2.236318      0.545778
  H      -4.310113     -1.424234      2.869289
  H      -3.021561     -0.448308      2.151958
  H     -10.112521     -5.938399      7.091028
  H     -10.396173     -5.626962      5.359033
  H     -10.591465     -7.271725      5.991274
  H      -8.294614     -7.466499      6.280681
  H      -7.818555     -5.185087      7.062171
  H      -6.654283     -5.952651      5.968551
  H      -7.124299     -3.577293      5.524227
  H      -8.802075     -3.920197      5.141167
  H      -8.745733     -6.219303      3.326495
  H      -9.432950     -4.640798      3.016896
  H      -9.269575     -5.621885      0.867284
  H      -7.650798     -6.256455      1.129147
  H      -8.086263     -3.958396     -0.293719
  H      -6.599521     -4.233308      0.621398
  H      -9.056518     -2.788600      1.737940
  H      -7.599295     -1.989537      1.146847
  H      -6.210881     -2.880259      2.846499
  H      -7.663251     -2.340347      3.681528
  H      -2.368586     -1.218142     10.015715
  H      -2.560492      0.122044      8.858787
  H      -0.957139     -0.655414      9.082519
  H      -2.261803     -1.375815      7.069261
  H      -1.982213     -3.532173      9.032577
  H      -0.602444     -2.865927      8.155785
  H      -2.115125     -3.288859      6.007119
  H      -1.040060     -4.520394      6.655495
  H      -1.784739     -6.547960      7.564316
  H      -3.486655     -7.005056      7.462289
  H      -2.921422     -6.983273      9.754093
  H      -2.042114     -5.470323      9.667248
  H      -4.713069     -5.730394     10.534501
  H      -3.956354     -4.212047     10.045769
  H      -6.061843     -4.531441      8.795504
  H      -5.508430     -6.083387      8.175777
  H      -4.307605     -3.303216      7.643707
  H      -5.158300     -4.323492      6.489762
  N      -4.723204     -2.837720      4.731855
  N      -4.970223     -1.833395      5.233979
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.500116643379
  N      -3.376471     -3.858345      2.201242
  C      -3.221294     -4.875784      1.167556
  C      -2.790518     -6.184348      1.810893
  N      -3.713065     -6.497612      2.926704
  C      -4.974804     -7.114193      2.443967
  C      -6.103204     -6.678366      3.358203
  N      -6.077485     -5.215476      3.468276
  Mo     -4.247670     -4.536356      3.880019
  N      -3.306361     -5.415416      5.440752
  C      -2.336615     -6.401398      4.943926
  C      -3.051399     -7.321010      3.970095
  H      -1.922356     -7.029853      5.745953
  H      -1.462869     -5.926363      4.452210
  H      -3.834007     -7.865364      4.518086
  H      -2.372075     -8.057953      3.504456
  H      -7.052202     -7.055382      2.953088
  H      -5.988825     -7.170427      4.345868
  H      -5.168873     -6.743466      1.427530
  H      -4.874404     -8.213378      2.401000
  H      -2.460484     -4.610316      0.423646
  H      -4.167202     -5.024790      0.608059
  H      -1.783225     -6.054428      2.233717
  H      -2.763206     -7.020143      1.086325
  C       1.091764     -1.298305      3.082351
  N      -0.180668     -0.582997      3.089594
  C      -1.197934     -1.210832      3.936245
  C      -1.770669     -2.526765      3.405761
  C      -2.618561     -2.571299      2.107069
  C      -1.672423     -2.457771      0.886327
  C      -2.340587     -2.238059     -0.480560
  C      -3.364029     -1.098243     -0.446350
  C      -4.348997     -1.306307      0.703858
  C      -3.601811     -1.380584      2.035034
  C      -9.983850     -6.360199      6.068435
  N      -8.596097     -6.661991      5.730101
  C      -7.676908     -5.557494      6.021367
  C      -7.783298     -4.346550      5.097411
  C      -7.395054     -4.516629      3.604246
  C      -8.530892     -5.251029      2.854637
  C      -8.304435     -5.393309      1.341180
  C      -7.694224     -4.119575      0.720315
  C      -7.968068     -2.914671      1.616722
  C      -7.278994     -3.089431      2.972906
  C      -2.054979     -0.837876      9.026093
  N      -2.436528     -1.787840      7.986988
  C      -1.699248     -3.048491      8.084468
  C      -1.961685     -3.953421      6.871653
  C      -3.134589     -4.972836      6.866602
  C      -2.806676     -6.194071      7.767241
  C      -2.933411     -5.985628      9.285932
  C      -4.211584     -5.220980      9.693022
  C      -5.158354     -5.085621      8.503915
  C      -4.477477     -4.349250      7.347292
  H       1.470288     -1.538765      4.099499
  H       1.849046     -0.694557      2.563021
  H       0.990224     -2.246238      2.533793
  H      -0.023187      0.368071      3.424298
  H      -0.798652     -1.433260      4.956109
  H      -2.016091     -0.487648      4.072187
  H      -0.971246     -3.281608      3.306500
  H      -2.434454     -2.897093      4.202306
  H      -0.988885     -3.324237      0.856313
  H      -1.039663     -1.582361      1.107684
  H      -1.557002     -2.028930     -1.228067
  H      -2.857600     -3.150305     -0.823664
  H      -3.890795     -1.033917     -1.412662
  H      -2.842235     -0.134204     -0.299227
  H      -5.082997     -0.484607      0.737818
  H      -4.923229     -2.235961      0.547291
  H      -4.310644     -1.425324      2.870858
  H      -3.022074     -0.448558      2.154590
  H     -10.110955     -5.940803      7.090006
  H     -10.394806     -5.628837      5.358040
  H     -10.588777     -7.273926      5.989874
  H      -8.292895     -7.468220      6.278926
  H      -7.815649     -5.187223      7.061442
  H      -6.652112     -5.953978      5.966568
  H      -7.123546     -3.577765      5.523782
  H      -8.801071     -3.921624      5.141660
  H      -8.745108     -6.219373      3.326308
  H      -9.432888     -4.640214      3.018861
  H      -9.274451     -5.618171      0.868875
  H      -7.656254     -6.256148      1.126230
  H      -8.088833     -3.956808     -0.293645
  H      -6.602029     -4.234266      0.620860
  H      -9.057452     -2.787903      1.740149
  H      -7.600758     -1.988680      1.147456
  H      -6.209696     -2.881958      2.843904
  H      -7.659841     -2.340133      3.681937
  H      -2.372137     -1.215445     10.012020
  H      -2.560159      0.123140      8.853243
  H      -0.957465     -0.654659      9.081713
  H      -2.259494     -1.376461      7.066058
  H      -1.985712     -3.530862      9.032248
  H      -0.602608     -2.867893      8.157642
  H      -2.114880     -3.290263      6.007095
  H      -1.040230     -4.521791      6.655066
  H      -1.786973     -6.550195      7.565299
  H      -3.489941     -7.004529      7.464917
  H      -2.923104     -6.981297      9.756762
  H      -2.041355     -5.470216      9.667403
  H      -4.710985     -5.722938     10.537854
  H      -3.952982     -4.207354     10.043829
  H      -6.061603     -4.528709      8.797279
  H      -5.508305     -6.081803      8.179740
  H      -4.308059     -3.302410      7.641622
  H      -5.158981     -4.325262      6.490134
  N      -4.722827     -2.838903      4.732324
  N      -4.969994     -1.834328      5.234291
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.500122264501
  N      -3.375246     -3.859316      2.202373
  C      -3.218365     -4.876661      1.168777
  C      -2.787932     -6.185108      1.812673
  N      -3.711956     -6.498260      2.927282
  C      -4.973269     -7.114465      2.442757
  C      -6.102851     -6.678839      3.355589
  N      -6.076276     -5.216002      3.466903
  Mo     -4.246485     -4.538058      3.880961
  N      -3.305566     -5.417389      5.441944
  C      -2.336659     -6.404260      4.945686
  C      -3.051740     -7.322662      3.970853
  H      -1.924435     -7.033942      5.747832
  H      -1.461636     -5.930290      4.455287
  H      -3.835208     -7.866657      4.517897
  H      -2.372752     -8.059994      3.505285
  H      -7.051129     -7.054222      2.947425
  H      -5.992133     -7.171936      4.342954
  H      -5.166307     -6.742486      1.426572
  H      -4.872684     -8.213591      2.398757
  H      -2.456971     -4.610643      0.425775
  H      -4.163539     -5.025914      0.608123
  H      -1.781467     -6.054275      2.237156
  H      -2.759016     -7.021377      1.088751
  C       1.092351     -1.298226      3.078484
  N      -0.179910     -0.582743      3.087559
  C      -1.196034     -1.210502      3.936176
  C      -1.769535     -2.526121      3.406012
  C      -2.618416     -2.571448      2.107984
  C      -1.673658     -2.456401      0.886287
  C      -2.343280     -2.238048     -0.480052
  C      -3.367613     -1.099057     -0.445147
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  C      -3.602812     -1.381658      2.037083
  C      -9.983654     -6.360093      6.066564
  N      -8.595745     -6.661674      5.728575
  C      -7.676170     -5.557693      6.020303
  C      -7.781344     -4.346447      5.096529
  C      -7.393155     -4.516251      3.603321
  C      -8.529959     -5.249706      2.854035
  C      -8.305899     -5.390403      1.340138
  C      -7.696429     -4.116043      0.719709
  C      -7.968778     -2.912455      1.618305
  C      -7.275772     -3.088941      2.972177
  C      -2.058836     -0.836931      9.023675
  N      -2.437432     -1.787702      7.984331
  C      -1.700913     -3.048705      8.084739
  C      -1.961433     -3.954841      6.872574
  C      -3.134140     -4.974339      6.867799
  C      -2.807007     -6.195083      7.768779
  C      -2.932925     -5.985477      9.287454
  C      -4.209594     -5.218388      9.694281
  C      -5.157597     -5.084932      8.505870
  C      -4.477526     -4.350721      7.347568
  H       1.471826     -1.539248      4.095135
  H       1.849441     -0.694701      2.558644
  H       0.989791     -2.245939      2.529739
  H      -0.021876      0.368292      3.422082
  H      -0.794293     -1.433501      4.955059
  H      -2.013413     -0.486705      4.074162
  H      -0.970371     -3.281266      3.307053
  H      -2.433988     -2.896041      4.201998
  H      -0.987969     -3.321079      0.855807
  H      -1.042752     -1.579504      1.107310
  H      -1.560698     -2.028601     -1.228580
  H      -2.859712     -3.150903     -0.822523
  H      -3.895756     -1.035927     -1.410803
  H      -2.846785     -0.134311     -0.299179
  H      -5.085581     -0.486630      0.741137
  H      -4.924502     -2.237953      0.550197
  H      -4.311779     -1.427559      2.872760
  H      -3.024176     -0.449007      2.157195
  H     -10.111242     -5.941393      7.088374
  H     -10.394938     -5.628718      5.356437
  H     -10.588048     -7.274190      5.987693
  H      -8.293061     -7.468530      6.276812
  H      -7.815059     -5.187554      7.060381
  H      -6.651602     -5.955021      5.965850
  H      -7.121430     -3.578056      5.523252
  H      -8.798856     -3.920831      5.140898
  H      -8.743209     -6.218511      3.325095
  H      -9.431449     -4.638655      3.019838
  H      -9.276956     -5.614388      0.869636
  H      -7.658509     -6.253178      1.122610
  H      -8.092781     -3.952057     -0.293399
  H      -6.604560     -4.231354      0.618224
  H      -9.057969     -2.786773      1.744860
  H      -7.603460     -1.985464      1.149496
  H      -6.206266     -2.884110      2.839364
  H      -7.652364     -2.338750      3.682658
  H      -2.380976     -1.213289     10.008617
  H      -2.562550      0.124471      8.848283
  H      -0.961475     -0.654685      9.083513
  H      -2.259032     -1.376772      7.063488
  H      -1.990784     -3.529792      9.032143
  H      -0.604435     -2.868410      8.160770
  H      -2.113656     -3.292082      6.007411
  H      -1.039891     -4.523169      6.656476
  H      -1.788026     -6.552588      7.566328
  H      -3.491890     -7.004272      7.467198
  H      -2.923794     -6.980755      9.759056
  H      -2.039869     -5.471198      9.668364
  H      -4.708689     -5.717407     10.541083
  H      -3.949497     -4.204168     10.042563
  H      -6.060684     -4.527698      8.799130
  H      -5.508004     -6.081659      8.183647
  H      -4.308987     -3.303113      7.639633
  H      -5.159300     -4.329191      6.490449
  N      -4.720865     -2.840685      4.733676
  N      -4.968400     -1.836238      5.235634
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.500124254401
  N      -3.374716     -3.859721      2.203076
  C      -3.216673     -4.877028      1.169532
  C      -2.786616     -6.185447      1.813665
  N      -3.711515     -6.498736      2.927546
  C      -4.972602     -7.114724      2.441946
  C      -6.102681     -6.679395      3.354230
  N      -6.075545     -5.216614      3.466353
  Mo     -4.245753     -4.539275      3.881603
  N      -3.304966     -5.418938      5.442523
  C      -2.336662     -6.406355      4.946490
  C      -3.052039     -7.323918      3.971048
  H      -1.925538     -7.036765      5.748617
  H      -1.460889     -5.933076      4.456763
  H      -3.835968     -7.867717      4.517621
  H      -2.373377     -8.061418      3.505257
  H      -7.050556     -7.053874      2.944438
  H      -5.993814     -7.173048      4.341373
  H      -5.165267     -6.741725      1.426064
  H      -4.871753     -8.213762      2.397043
  H      -2.454654     -4.610622      0.427360
  H      -4.161267     -5.026195      0.607911
  H      -1.780676     -6.054066      2.239211
  H      -2.756708     -7.021933      1.090052
  C       1.091587     -1.296155      3.075238
  N      -0.180953     -0.581211      3.086261
  C      -1.195572     -1.209906      3.936222
  C      -1.769193     -2.525486      3.406262
  C      -2.618483     -2.571341      2.108554
  C      -1.674455     -2.455943      0.886315
  C      -2.344808     -2.238393     -0.479704
  C      -3.369050     -1.099436     -0.444612
  C      -4.351722     -1.307957      0.707565
  C      -3.603186     -1.381882      2.038041
  C      -9.983857     -6.359010      6.066381
  N      -8.596202     -6.661177      5.728447
  C      -7.676012     -5.557705      6.019884
  C      -7.780164     -4.346359      5.095949
  C      -7.391959     -4.516218      3.602799
  C      -8.529429     -5.249086      2.853781
  C      -8.306823     -5.389077      1.339634
  C      -7.696392     -4.115038      0.719580
  C      -7.968075     -2.911706      1.618667
  C      -7.273461     -3.088990      2.971609
  C      -2.061306     -0.837307      9.022780
  N      -2.436992     -1.787901      7.982224
  C      -1.701437     -3.049349      8.084901
  C      -1.961003     -3.956109      6.872888
  C      -3.133701     -4.975518      6.868395
  C      -2.807338     -6.196110      7.769847
  C      -2.932888     -5.985670      9.288445
  C      -4.208551     -5.216987      9.694890
  C      -5.157128     -5.084289      8.506935
  C      -4.477382     -4.351592      7.347576
  H       1.472124     -1.537999      4.091271
  H       1.848007     -0.691961      2.555282
  H       0.988847     -2.243356      2.525575
  H      -0.022985      0.369765      3.421094
  H      -0.791994     -1.433306      4.954304
  H      -2.012713     -0.486219      4.076188
  H      -0.970159     -3.280769      3.307635
  H      -2.434199     -2.894664      4.202062
  H      -0.987832     -3.319787      0.855801
  H      -1.044394     -1.578354      1.106933
  H      -1.562744     -2.029380     -1.228876
  H      -2.861393     -3.151329     -0.821553
  H      -3.897852     -1.036753     -1.409871
  H      -2.848330     -0.134663     -0.299312
  H      -5.086481     -0.487078      0.742573
  H      -4.924930     -2.238381      0.551776
  H      -4.312372     -1.428252      2.873478
  H      -3.024993     -0.449081      2.158656
  H     -10.111234     -5.940099      7.088241
  H     -10.394897     -5.627760      5.355966
  H     -10.588428     -7.272965      5.987919
  H      -8.293901     -7.468193      6.276682
  H      -7.814944     -5.187199      7.059804
  H      -6.651681     -5.955875      5.965781
  H      -7.119975     -3.578224      5.522743
  H      -8.797564     -3.920188      5.140133
  H      -8.742277     -6.218025      3.324684
  H      -9.430642     -4.637919      3.020449
  H      -9.278740     -5.611331      0.870129
  H      -7.660953     -6.252578      1.120536
  H      -8.092400     -3.950599     -0.293590
  H      -6.604647     -4.231450      0.618327
  H      -9.057200     -2.786491      1.746535
  H      -7.603609     -1.984338      1.149955
  H      -6.203748     -2.885877      2.836879
  H      -7.647687     -2.338050      3.682618
  H      -2.387511     -1.213475     10.006544
  H      -2.563843      0.124274      8.845629
  H      -0.964077     -0.655835      9.086520
  H      -2.256495     -1.376997      7.061934
  H      -1.994207     -3.529559      9.031818
  H      -0.604983     -2.869694      8.163185
  H      -2.112941     -3.293591      6.007492
  H      -1.039445     -4.524474      6.656809
  H      -1.788814     -6.554870      7.567234
  H      -3.493553     -7.004413      7.468847
  H      -2.924816     -6.980808      9.760489
  H      -2.039209     -5.472267      9.669102
  H      -4.707564     -5.714187     10.542725
  H      -3.947614     -4.202521     10.041578
  H      -6.059846     -4.526349      8.800066
  H      -5.508373     -6.081144      8.186111
  H      -4.309209     -3.303433      7.638086
  H      -5.159379     -4.331664      6.490610
  N      -4.719483     -2.841848      4.734556
  N      -4.966532     -1.837094      5.236229
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.500129187826
  N      -3.373067     -3.860593      2.204188
  C      -3.213124     -4.878060      1.170951
  C      -2.783952     -6.186373      1.815647
  N      -3.710338     -6.499744      2.928286
  C      -4.971071     -7.115179      2.440917
  C      -6.102032     -6.680181      3.352195
  N      -6.073869     -5.217539      3.465801
  Mo     -4.243978     -4.541314      3.882645
  N      -3.303819     -5.421561      5.443579
  C      -2.336512     -6.409985      4.948232
  C      -3.052284     -7.326181      3.971782
  H      -1.927311     -7.041454      5.750512
  H      -1.459390     -5.937977      4.459662
  H      -3.837109     -7.869447      4.517603
  H      -2.374187     -8.064069      3.505774
  H      -7.049225     -7.053180      2.939692
  H      -5.995959     -7.174818      4.338967
  H      -5.162984     -6.740745      1.425406
  H      -4.869967     -8.214105      2.394740
  H      -2.449788     -4.611371      0.430318
  H      -4.156702     -5.027011      0.607609
  H      -1.778826     -6.054420      2.242917
  H      -2.752608     -7.023150      1.092463
  C       1.090863     -1.293656      3.069608
  N      -0.181902     -0.579025      3.083126
  C      -1.194468     -1.208283      3.935299
  C      -1.768725     -2.524011      3.406628
  C      -2.618356     -2.571091      2.109287
  C      -1.675401     -2.454731      0.886332
  C      -2.347362     -2.239561     -0.479166
  C      -3.372467     -1.101261     -0.444185
  C      -4.353820     -1.309599      0.709142
  C      -3.604266     -1.382670      2.039135
  C      -9.985507     -6.356586      6.064609
  N      -8.598207     -6.660301      5.727027
  C      -7.676483     -5.558339      6.018963
  C      -7.777907     -4.346362      5.095350
  C      -7.389591     -4.516031      3.602271
  C      -8.528028     -5.247693      2.853314
  C      -8.307656     -5.385636      1.338678
  C      -7.697024     -4.111182      0.719860
  C      -7.967650     -2.909131      1.620863
  C      -7.269142     -3.088708      2.971457
  C      -2.067312     -0.837742      9.021485
  N      -2.437317     -1.788243      7.978803
  C      -1.702972     -3.050043      8.085290
  C      -1.960677     -3.957809      6.873527
  C      -3.132986     -4.977411      6.869315
  C      -2.806963     -6.197620      7.771365
  C      -2.931579     -5.986093      9.289953
  C      -4.205792     -5.215160      9.696204
  C      -5.155739     -5.084098      8.509161
  C      -4.477238     -4.353705      7.347765
  H       1.473173     -1.536103      4.084797
  H       1.846440     -0.689150      2.548826
  H       0.987365     -2.240298      2.519296
  H      -0.023621      0.371887      3.417889
  H      -0.788613     -1.431717      4.952537
  H      -2.011192     -0.484504      4.077635
  H      -0.970333     -3.280051      3.309242
  H      -2.434832     -2.890884      4.202490
  H      -0.986539     -3.316809      0.856117
  H      -1.047357     -1.575368      1.105833
  H      -1.566303     -2.031032     -1.229546
  H      -2.863716     -3.153320     -0.819428
  H      -3.902570     -1.040042     -1.408826
  H      -2.852447     -0.135876     -0.300405
  H      -5.089246     -0.489318      0.744360
  H      -4.926254     -2.240688      0.554521
  H      -4.313334     -1.429859      2.874551
  H      -3.027141     -0.449254      2.160018
  H     -10.112575     -5.937797      7.086654
  H     -10.395485     -5.624817      5.354090
  H     -10.590960     -7.269922      5.986019
  H      -8.296955     -7.467995      6.274769
  H      -7.815601     -5.187544      7.058775
  H      -6.652806     -5.958419      5.965577
  H      -7.116603     -3.579515      5.522766
  H      -8.794664     -3.918434      5.139198
  H      -8.740286     -6.217082      3.323499
  H      -9.429040     -4.636793      3.021774
  H      -9.280646     -5.605839      0.870485
  H      -7.663329     -6.249537      1.116841
  H      -8.093120     -3.945510     -0.293071
  H      -6.605405     -4.228218      0.618320
  H      -9.056533     -2.785158      1.751835
  H      -7.605264     -1.980654      1.152841
  H      -6.199168     -2.889194      2.832221
  H      -7.637855     -2.336487      3.684071
  H      -2.400334     -1.213784     10.002943
  H      -2.567979      0.124217      8.841172
  H      -0.970420     -0.657231      9.092105
  H      -2.253318     -1.377423      7.059296
  H      -2.000011     -3.528969      9.031424
  H      -0.606657     -2.871080      8.167016
  H      -2.112362     -3.295934      6.007661
  H      -1.038899     -4.525938      6.657976
  H      -1.789054     -6.557764      7.568250
  H      -3.494735     -7.004955      7.471316
  H      -2.925029     -6.981089      9.762327
  H      -2.036849     -5.474056      9.670317
  H      -4.704341     -5.709505     10.545890
  H      -3.943490     -4.200090     10.040184
  H      -6.057813     -4.525239      8.802347
  H      -5.508195     -6.081161      8.190711
  H      -4.309941     -3.304725      7.635671
  H      -5.159879     -4.336779      6.491187
  N      -4.717180     -2.843933      4.735989
  N      -4.963910     -1.838955      5.237137
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.500133188173
  N      -3.371126     -3.861492      2.205467
  C      -3.209013     -4.879133      1.172616
  C      -2.780778     -6.187286      1.817951
  N      -3.708787     -6.500888      2.929173
  C      -4.969117     -7.115515      2.439700
  C      -6.101087     -6.681076      3.349908
  N      -6.071906     -5.218654      3.465636
  Mo     -4.241969     -4.543452      3.883772
  N      -3.302728     -5.424269      5.444824
  C      -2.336403     -6.413824      4.950314
  C      -3.052415     -7.328628      3.972731
  H      -1.929207     -7.046292      5.752807
  H      -1.457825     -5.943123      4.463035
  H      -3.838294     -7.871238      4.517696
  H      -2.374866     -8.066965      3.506660
  H      -7.047571     -7.052541      2.934539
  H      -5.997581     -7.177116      4.336143
  H      -5.160008     -6.739612      1.424539
  H      -4.867952     -8.214351      2.392155
  H      -2.444007     -4.612265      0.433789
  H      -4.151373     -5.027945      0.607236
  H      -1.776485     -6.054953      2.247006
  H      -2.747981     -7.024185      1.094974
  C       1.090182     -1.291890      3.063112
  N      -0.182369     -0.576798      3.079096
  C      -1.193302     -1.205814      3.933361
  C      -1.768859     -2.521870      3.406981
  C      -2.618398     -2.570725      2.109787
  C      -1.676435     -2.453920      0.886156
  C      -2.350002     -2.241379     -0.478852
  C      -3.375480     -1.103542     -0.444198
  C      -4.355915     -1.311280      0.709986
  C      -3.605593     -1.383457      2.039571
  C      -9.988029     -6.354717      6.061320
  N      -8.601210     -6.660700      5.724433
  C      -7.677487     -5.560839      6.017784
  C      -7.775666     -4.347528      5.095320
  C      -7.387127     -4.516203      3.602204
  C      -8.526215     -5.246523      2.852811
  C      -8.307872     -5.381328      1.337646
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  C      -7.264756     -3.088448      2.972378
  C      -2.073165     -0.838295      9.020921
  N      -2.437365     -1.788580      7.975993
  C      -1.704145     -3.050762      8.085838
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  C      -3.132301     -4.979167      6.870307
  C      -2.806503     -6.198756      7.773469
  C      -2.930397     -5.985797      9.291911
  C      -4.203295     -5.212577      9.697682
  C      -5.154416     -5.083279      8.511488
  C      -4.476991     -4.355440      7.347884
  H       1.474309     -1.535007      4.077510
  H       1.845078     -0.687335      2.541293
  H       0.985373     -2.238095      2.512231
  H      -0.023142      0.374080      3.413605
  H      -0.785759     -1.428830      4.950003
  H      -2.009484     -0.481741      4.077321
  H      -0.971675     -3.279370      3.311759
  H      -2.436477     -2.885190      4.203199
  H      -0.985763     -3.314478      0.856471
  H      -1.050092     -1.573026      1.104117
  H      -1.569975     -2.033783     -1.230537
  H      -2.866506     -3.155732     -0.817052
  H      -3.906453     -1.043475     -1.408342
  H      -2.855764     -0.137946     -0.301764
  H      -5.091661     -0.491333      0.745178
  H      -4.928014     -2.242746      0.556573
  H      -4.314369     -1.431168      2.875145
  H      -3.029428     -0.449497      2.160425
  H     -10.114923     -5.936342      7.083649
  H     -10.396003     -5.621820      5.350824
  H     -10.595056     -7.266860      5.981896
  H      -8.301635     -7.469480      6.271427
  H      -7.816697     -5.190496      7.057782
  H      -6.654590     -5.963034      5.964882
  H      -7.112762     -3.582704      5.523944
  H      -8.791542     -3.917352      5.139052
  H      -8.737777     -6.216714      3.321619
  H      -9.427370     -4.636479      3.023472
  H      -9.281584     -5.600420      0.870401
  H      -7.663941     -6.244725      1.112870
  H      -8.095404     -3.937881     -0.291520
  H      -6.606924     -4.221655      0.618398
  H      -9.057014     -2.783484      1.759947
  H      -7.608843     -1.975387      1.158293
  H      -6.194590     -2.893161      2.827304
  H      -7.626396     -2.335065      3.687445
  H      -2.411850     -1.214519     10.000415
  H      -2.572722      0.123576      8.837694
  H      -0.976685     -0.657870      9.097847
  H      -2.249931     -1.377742      7.057406
  H      -2.004808     -3.528580      9.031315
  H      -0.607915     -2.872758      8.170597
  H      -2.112117     -3.298156      6.007855
  H      -1.038277     -4.527295      6.659260
  H      -1.789068     -6.560003      7.570216
  H      -3.495280     -7.005656      7.474653
  H      -2.925578     -6.980648      9.764852
  H      -2.034704     -5.475082      9.671913
  H      -4.701370     -5.704054     10.549254
  H      -3.939718     -4.196835     10.038611
  H      -6.055777     -4.523167      8.804524
  H      -5.508069     -6.080633      8.195653
  H      -4.310402     -3.305555      7.632864
  H      -5.160202     -4.341604      6.491758
  N      -4.715150     -2.846154      4.737409
  N      -4.961616     -1.840805      5.237845
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.500139934229
  N      -3.367926     -3.862836      2.207072
  C      -3.203164     -4.880705      1.174729
  C      -2.776380     -6.188720      1.820936
  N      -3.706526     -6.502499      2.930273
  C      -4.966420     -7.115679      2.437983
  C      -6.099637     -6.682100      3.346947
  N      -6.069134     -5.220049      3.465861
  Mo     -4.239082     -4.546162      3.885041
  N      -3.301484     -5.427771      5.446400
  C      -2.336408     -6.418881      4.953140
  C      -3.052640     -7.331878      3.974043
  H      -1.931943     -7.052594      5.756010
  H      -1.455873     -5.949911      4.467676
  H      -3.840065     -7.873429      4.517825
  H      -2.375804     -8.070970      3.508163
  H      -7.045301     -7.051537      2.927992
  H      -5.998999     -7.180327      4.332326
  H      -5.155805     -6.737797      1.423277
  H      -4.865571     -8.214448      2.388566
  H      -2.435861     -4.613898      0.438305
  H      -4.143906     -5.029288      0.606628
  H      -1.773060     -6.056368      2.252203
  H      -2.742007     -7.025618      1.098015
  C       1.090162     -1.291164      3.056157
  N      -0.181679     -0.574646      3.073385
  C      -1.191796     -1.201545      3.929971
  C      -1.769603     -2.518232      3.407542
  C      -2.618455     -2.570100      2.110193
  C      -1.677365     -2.452256      0.886109
  C      -2.352888     -2.244020     -0.478533
  C      -3.379966     -1.107504     -0.444866
  C      -4.359473     -1.315040      0.710082
  C      -3.608333     -1.385062      2.039356
  C      -9.992347     -6.351578      6.055605
  N      -8.606160     -6.661387      5.719944
  C      -7.679224     -5.564990      6.016113
  C      -7.772547     -4.349399      5.095878
  C      -7.383788     -4.516425      3.602654
  C      -8.523544     -5.244819      2.852419
  C      -8.307696     -5.374932      1.336544
  C      -7.700971     -4.096312      0.722783
  C      -7.969917     -2.900044      1.631873
  C      -7.258810     -3.087968      2.974461
  C      -2.081404     -0.838966      9.020440
  N      -2.438315     -1.788949      7.972759
  C      -1.706062     -3.051119      8.086112
  C      -1.960550     -3.960516      6.874693
  C      -3.131641     -4.981350      6.871447
  C      -2.804969     -6.199818      7.775889
  C      -2.927637     -5.985108      9.294272
  C      -4.198986     -5.209387      9.699928
  C      -5.152235     -5.083037      8.515122
  C      -4.476993     -4.358314      7.348282
  H       1.475972     -1.533528      4.070056
  H       1.844816     -0.688040      2.532272
  H       0.983300     -2.237596      2.506349
  H      -0.020794      0.376406      3.406446
  H      -0.783395     -1.423170      4.946629
  H      -2.007191     -0.476537      4.074154
  H      -0.974511     -3.278299      3.316223
  H      -2.439588     -2.875881      4.204299
  H      -0.983744     -3.310499      0.857524
  H      -1.053827     -1.568862      1.101941
  H      -1.574110     -2.037120     -1.231706
  H      -2.868808     -3.159832     -0.813875
  H      -3.911789     -1.049444     -1.408675
  H      -2.861359     -0.141034     -0.304060
  H      -5.096231     -0.495935      0.744816
  H      -4.930591     -2.247370      0.558176
  H      -4.316563     -1.433714      2.875256
  H      -3.034038     -0.449866      2.159749
  H     -10.119121     -5.934222      7.078400
  H     -10.396936     -5.616358      5.345523
  H     -10.602203     -7.261642      5.974132
  H      -8.309525     -7.472076      6.265585
  H      -7.818290     -5.195903      7.056639
  H      -6.657538     -5.970322      5.963545
  H      -7.106953     -3.587997      5.526491
  H      -8.786865     -3.915555      5.139739
  H      -8.734340     -6.216243      3.318981
  H      -9.425009     -4.636123      3.026276
  H      -9.282085     -5.593131      0.870291
  H      -7.663556     -6.237169      1.107878
  H      -8.099122     -3.926140     -0.288578
  H      -6.609212     -4.210891      0.618835
  H      -9.058055     -2.780526      1.772540
  H      -7.614146     -1.967352      1.167284
  H      -6.188623     -2.898762      2.820858
  H      -7.610038     -2.333224      3.693263
  H      -2.426549     -1.215754      9.997272
  H      -2.579901      0.122888      8.834002
  H      -0.985507     -0.658212      9.104961
  H      -2.247014     -1.377896      7.055152
  H      -2.010140     -3.527755      9.030990
  H      -0.609962     -2.874046      8.173836
  H      -2.113436     -3.300322      6.007936
  H      -1.038017     -4.527639      6.660236
  H      -1.787756     -6.561559      7.572148
  H      -3.494230     -7.007034      7.478773
  H      -2.924768     -6.979698      9.767721
  H      -2.030798     -5.475935      9.673788
  H      -4.695739     -5.697274     10.554197
  H      -3.933856     -4.192645     10.036602
  H      -6.052787     -4.521722      8.808264
  H      -5.506910     -6.080982      8.202748
  H      -4.311688     -3.307215      7.629340
  H      -5.161294     -4.348908      6.492902
  N      -4.712809     -2.849188      4.739071
  N      -4.959568     -1.843628      5.238632
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.500144833023
  N      -3.364543     -3.864079      2.208992
  C      -3.197269     -4.881982      1.177022
  C      -2.771803     -6.189950      1.823923
  N      -3.703907     -6.504023      2.931449
  C      -4.963335     -7.115760      2.436406
  C      -6.097730     -6.683182      3.344255
  N      -6.066279     -5.221533      3.466446
  Mo     -4.236240     -4.548655      3.886404
  N      -3.300386     -5.430897      5.448134
  C      -2.336255     -6.423355      4.956090
  C      -3.052441     -7.334785      3.975513
  H      -1.934291     -7.058118      5.759363
  H      -1.453970     -5.955784      4.472424
  H      -3.841356     -7.875383      4.518058
  H      -2.376117     -8.074568      3.510028
  H      -7.042658     -7.050891      2.922203
  H      -5.999321     -7.183679      4.328694
  H      -5.151118     -6.736155      1.422076
  H      -4.862952     -8.214498      2.385301
  H      -2.427713     -4.615226      0.442914
  H      -4.136407     -5.030473      0.606236
  H      -1.769313     -6.057891      2.257116
  H      -2.736152     -7.026637      1.100790
  C       1.090701     -1.293725      3.049504
  N      -0.179135     -0.573563      3.067072
  C      -1.190056     -1.196164      3.925543
  C      -1.771269     -2.513430      3.408160
  C      -2.618876     -2.569213      2.110365
  C      -1.678335     -2.450859      0.886028
  C      -2.355193     -2.246701     -0.478543
  C      -3.383569     -1.111520     -0.446127
  C      -4.362864     -1.318920      0.708985
  C      -3.611644     -1.386682      2.038295
  C      -9.997558     -6.349294      6.048224
  N      -8.611994     -6.663418      5.714280
  C      -7.681668     -5.570896      6.014196
  C      -7.769811     -4.352487      5.096915
  C      -7.380650     -4.517104      3.603534
  C      -8.520583     -5.243659      2.851872
  C      -8.306686     -5.368229      1.335355
  C      -7.705055     -4.085516      0.725101
  C      -7.973309     -2.893922      1.640591
  C      -7.253526     -3.087607      2.977499
  C      -2.088498     -0.839484      9.021324
  N      -2.439778     -1.788935      7.971329
  C      -1.707573     -3.050871      8.086224
  C      -1.961219     -3.960735      6.874928
  C      -3.131066     -4.983046      6.872671
  C      -2.802847     -6.200011      7.778587
  C      -2.924794     -5.983691      9.296831
  C      -4.194904     -5.205657      9.702176
  C      -5.150130     -5.082706      8.518672
  C      -4.477083     -4.360923      7.348701
  H       1.477311     -1.535638      4.063323
  H       1.846290     -0.693314      2.523670
  H       0.980415     -2.240637      2.501115
  H      -0.015074      0.377587      3.398404
  H      -0.782092     -1.415856      4.942765
  H      -2.004009     -0.469256      4.068104
  H      -0.979066     -3.277008      3.322038
  H      -2.444260     -2.864073      4.205505
  H      -0.982419     -3.307177      0.858699
  H      -1.057066     -1.565478      1.099770
  H      -1.577387     -2.040456     -1.232863
  H      -2.870466     -3.163693     -0.811287
  H      -3.915422     -1.055055     -1.409940
  H      -2.865992     -0.144478     -0.306339
  H      -5.100434     -0.500543      0.742927
  H      -4.933216     -2.251881      0.558078
  H      -4.319487     -1.436153      2.874436
  H      -3.039386     -0.450184      2.158093
  H     -10.124621     -5.933391      7.071540
  H     -10.398024     -5.611200      5.338824
  H     -10.610725     -7.256848      5.963848
  H      -8.319061     -7.476357      6.258446
  H      -7.820556     -5.203891      7.055548
  H      -6.661232     -5.979319      5.961730
  H      -7.101229     -3.595074      5.530025
  H      -8.782329     -3.914532      5.141204
  H      -8.730426     -6.216673      3.315519
  H      -9.422660     -4.636787      3.029031
  H      -9.281115     -5.587693      0.869709
  H      -7.660282     -6.227791      1.102999
  H      -8.106176     -3.912137     -0.284543
  H      -6.613138     -4.196586      0.618020
  H      -9.060908     -2.777729      1.787804
  H      -7.622153     -1.958121      1.178774
  H      -6.183511     -2.904370      2.814447
  H      -7.593572     -2.331940      3.700725
  H      -2.437135     -1.217302      9.996584
  H      -2.587307      0.121758      8.833097
  H      -0.993194     -0.657232      9.110866
  H      -2.246165     -1.377131      7.054672
  H      -2.012898     -3.526993      9.030944
  H      -0.611518     -2.874357      8.175276
  H      -2.116075     -3.301376      6.007898
  H      -1.038065     -4.526781      6.660315
  H      -1.785529     -6.561131      7.574742
  H      -3.491355     -7.008364      7.483090
  H      -2.923853     -6.978088      9.770888
  H      -2.026988     -5.475872      9.676020
  H      -4.690249     -5.690116     10.559254
  H      -3.928444     -4.187746     10.034393
  H      -6.050109     -4.520480      8.811733
  H      -5.505148     -6.081440      8.209685
  H      -4.313301     -3.308622      7.625833
  H      -5.162298     -4.355907      6.494025
  N      -4.710961     -2.852157      4.740744
  N      -4.958383     -1.846395      5.239513
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.500150389932
  N      -3.361368     -3.865100      2.210614
  C      -3.192261     -4.882836      1.178787
  C      -2.768062     -6.190910      1.826088
  N      -3.701789     -6.505228      2.932071
  C      -4.960901     -7.115525      2.434674
  C      -6.096089     -6.684120      3.341968
  N      -6.064022     -5.222867      3.467107
  Mo     -4.234018     -4.550632      3.887288
  N      -3.299798     -5.433393      5.449362
  C      -2.336367     -6.426891      4.958244
  C      -3.052455     -7.337067      3.976456
  H      -1.936378     -7.062485      5.761837
  H      -1.452729     -5.960341      4.476056
  H      -3.842653     -7.876838      4.517941
  H      -2.376510     -8.077494      3.511466
  H      -7.040588     -7.050526      2.917770
  H      -5.998916     -7.186739      4.325510
  H      -5.147379     -6.734114      1.420794
  H      -4.861100     -8.214245      2.381817
  H      -2.420840     -4.616219      0.446606
  H      -4.130057     -5.031135      0.605744
  H      -1.766160     -6.059434      2.260766
  H      -2.731611     -7.027249      1.102568
  C       1.091704     -1.297106      3.046404
  N      -0.176024     -0.573124      3.062005
  C      -1.189075     -1.190448      3.921517
  C      -1.773484     -2.508316      3.408966
  C      -2.619448     -2.568160      2.110430
  C      -1.678868     -2.448983      0.886320
  C      -2.356310     -2.248636     -0.478564
  C      -3.386778     -1.115258     -0.447700
  C      -4.366295     -1.323375      0.707069
  C      -3.615493     -1.388417      2.036761
  C     -10.002304     -6.346870      6.041614
  N      -8.617257     -6.665132      5.709355
  C      -7.683835     -5.576077      6.012633
  C      -7.767601     -4.355218      5.097965
  C      -7.378208     -4.517888      3.604453
  C      -8.518241     -5.242948      2.851658
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  C      -7.708304     -4.077018      0.727275
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  C      -2.093171     -0.840704      9.022879
  N      -2.440666     -1.789007      7.970665
  C      -1.708486     -3.050623      8.085696
  C      -1.962179     -3.960455      6.874447
  C      -3.130793     -4.984334      6.873445
  C      -2.800845     -6.199904      7.780472
  C      -2.921922     -5.982215      9.298703
  C      -4.190599     -5.201966      9.704194
  C      -5.148061     -5.082085      8.522179
  C      -4.477341     -4.363059      7.349095
  H       1.477771     -1.537323      4.060796
  H       1.848992     -0.700326      2.518825
  H       0.978499     -2.245070      2.500645
  H      -0.009025      0.378316      3.390920
  H      -0.782714     -1.407806      4.939926
  H      -2.001631     -0.461312      4.060891
  H      -0.984066     -3.275281      3.328300
  H      -2.449448     -2.852333      4.206635
  H      -0.980650     -3.303479      0.860370
  H      -1.059909     -1.561648      1.098537
  H      -1.579026     -2.042247     -1.233375
  H      -2.870156     -3.167122     -0.809472
  H      -3.918210     -1.060426     -1.411864
  H      -2.870831     -0.147210     -0.308374
  H      -5.105284     -0.506188      0.739904
  H      -4.935201     -2.257341      0.556666
  H      -4.323213     -1.439010      2.872917
  H      -3.045665     -0.450313      2.155984
  H     -10.129664     -5.932168      7.065322
  H     -10.398976     -5.606113      5.332817
  H     -10.618637     -7.252069      5.954529
  H      -8.327923     -7.480100      6.252367
  H      -7.822357     -5.211023      7.054783
  H      -6.664474     -5.987163      5.960045
  H      -7.096310     -3.601306      5.533144
  H      -8.778472     -3.913576      5.142782
  H      -8.727390     -6.217276      3.312811
  H      -9.420779     -4.637548      3.031669
  H      -9.280507     -5.583274      0.869503
  H      -7.657887     -6.220463      1.099218
  H      -8.111564     -3.901061     -0.281046
  H      -6.616238     -4.185327      0.617996
  H      -9.063170     -2.775447      1.800352
  H      -7.628339     -1.950885      1.188370
  H      -6.179604     -2.909321      2.809314
  H      -7.580107     -2.331323      3.706977
  H      -2.444495     -1.219832      9.996522
  H      -2.591822      0.120587      8.834104
  H      -0.998241     -0.657772      9.116301
  H      -2.245402     -1.376005      7.054835
  H      -2.013942     -3.526585      9.030406
  H      -0.612422     -2.874626      8.175028
  H      -2.119517     -3.301621      6.007568
  H      -1.038553     -4.525209      6.658864
  H      -1.783201     -6.560252      7.576266
  H      -3.488548     -7.009618      7.486422
  H      -2.922906     -6.976357      9.773149
  H      -2.023158     -5.475892      9.677560
  H      -4.684237     -5.683332     10.563877
  H      -3.922699     -4.183164     10.032312
  H      -6.047467     -4.519045      8.815470
  H      -5.503338     -6.081637      8.216285
  H      -4.314973     -3.309579      7.622486
  H      -5.163676     -4.362223      6.495210
  N      -4.710107     -2.854719      4.741841
  N      -4.958837     -1.849069      5.239987
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.501035096875
  N      -3.339673     -3.844068      2.251311
  C      -3.180677     -4.856542      1.205860
  C      -2.773539     -6.179896      1.841503
  N      -3.719303     -6.493782      2.940475
  C      -4.978586     -7.098412      2.428972
  C      -6.119721     -6.673389      3.335744
  N      -6.095161     -5.205963      3.472523
  Mo     -4.268165     -4.517921      3.909569
  N      -3.347546     -5.425096      5.475768
  C      -2.380202     -6.428997      4.986808
  C      -3.085554     -7.333266      3.990767
  H      -1.990060     -7.068221      5.792808
  H      -1.491322     -5.961459      4.516391
  H      -3.884540     -7.874585      4.517044
  H      -2.404129     -8.074314      3.534669
  H      -7.065837     -7.042027      2.915844
  H      -6.016639     -7.185591      4.315341
  H      -5.153025     -6.711670      1.415087
  H      -4.885233     -8.198034      2.371845
  H      -2.408204     -4.592856      0.473981
  H      -4.119218     -4.992514      0.630285
  H      -1.770964     -6.068162      2.280341
  H      -2.745383     -7.007129      1.107319
  C       1.136563     -1.202919      3.007115
  N      -0.137715     -0.494095      2.987458
  C      -1.145462     -1.078542      3.875405
  C      -1.716291     -2.424170      3.418513
  C      -2.590789     -2.540859      2.135342
  C      -1.657875     -2.437063      0.904181
  C      -2.339285     -2.263219     -0.463803
  C      -3.387304     -1.144616     -0.448377
  C      -4.358738     -1.349697      0.713861
  C      -3.600972     -1.372970      2.041194
  C     -10.022708     -6.388919      6.007725
  N      -8.621746     -6.671009      5.699504
  C      -7.726414     -5.549471      6.005026
  C      -7.840172     -4.345936      5.072891
  C      -7.426757     -4.519201      3.586637
  C      -8.539123     -5.274926      2.823097
  C      -8.294831     -5.416388      1.312627
  C      -7.712521     -4.128530      0.692656
  C      -8.019775     -2.931303      1.591705
  C      -7.327667     -3.093243      2.947311
  C      -1.927226     -0.873082      9.019524
  N      -2.364423     -1.817875      8.002015
  C      -1.666642     -3.097728      8.099337
  C      -1.968045     -4.002966      6.899937
  C      -3.163136     -4.998907      6.908366
  C      -2.846065     -6.230680      7.792504
  C      -2.943898     -6.030988      9.316305
  C      -4.189928     -5.231427      9.752540
  C      -5.160033     -5.074999      8.583227
  C      -4.486438     -4.351524      7.414203
  H       1.523876     -1.380627      4.031689
  H       1.885651     -0.629791      2.446545
  H       1.033741     -2.183108      2.520723
  H       0.018883      0.474090      3.267811
  H      -0.734278     -1.245124      4.901946
  H      -1.968486     -0.355001      3.976691
  H      -0.914215     -3.178915      3.345588
  H      -2.354462     -2.760710      4.245679
  H      -0.958260     -3.291850      0.887671
  H      -1.038620     -1.545295      1.100578
  H      -1.565674     -2.053004     -1.220891
  H      -2.837190     -3.195470     -0.782067
  H      -3.919797     -1.111832     -1.414268
  H      -2.885796     -0.164738     -0.324121
  H      -5.110779     -0.543762      0.733161
  H      -4.914061     -2.294742      0.579051
  H      -4.300101     -1.413958      2.884659
  H      -3.042874     -0.423712      2.129245
  H     -10.178747     -5.970412      7.024312
  H     -10.434064     -5.663817      5.289901
  H     -10.612455     -7.312843      5.916158
  H      -8.322226     -7.473111      6.257959
  H      -7.886328     -5.180392      7.042220
  H      -6.692994     -5.925889      5.967445
  H      -7.198555     -3.564259      5.504437
  H      -8.862625     -3.933618      5.102621
  H      -8.743241     -6.247018      3.290635
  H      -9.452347     -4.678017      2.978252
  H      -9.253774     -5.669474      0.833424
  H      -7.620402     -6.262747      1.107246
  H      -8.107989     -3.973420     -0.322476
  H      -6.617761     -4.217697      0.597480
  H      -9.112623     -2.829490      1.712512
  H      -7.671227     -1.996378      1.124148
  H      -6.263890     -2.873005      2.813501
  H      -7.715253     -2.347199      3.655277
  H      -2.242675     -1.229368     10.011769
  H      -2.396963      0.108198      8.850364
  H      -0.824368     -0.731555      9.054353
  H      -2.184023     -1.420672      7.071108
  H      -1.948617     -3.560645      9.057740
  H      -0.563238     -2.951027      8.153738
  H      -2.119639     -3.340081      6.036061
  H      -1.062310     -4.589331      6.671519
  H      -1.833587     -6.602559      7.570505
  H      -3.546281     -7.029974      7.493241
  H      -2.956954     -7.027974      9.779020
  H      -2.030821     -5.546579      9.688837
  H      -4.680042     -5.720899     10.608447
  H      -3.894322     -4.226096     10.096995
  H      -6.047303     -4.502348      8.896269
  H      -5.531277     -6.066048      8.260270
  H      -4.294820     -3.307711      7.705583
  H      -5.185256     -4.315410      6.570000
  N      -4.758329     -2.827648      4.765345
  N      -5.025115     -1.830724      5.273661
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.501853134218
  N      -3.308083     -3.877181      2.245601
  C      -3.158837     -4.896044      1.206546
  C      -2.762628     -6.218785      1.847083
  N      -3.708954     -6.520345      2.946744
  C      -4.972828     -7.119137      2.443427
  C      -6.105856     -6.685643      3.355446
  N      -6.077146     -5.218048      3.482867
  Mo     -4.245278     -4.535541      3.905433
  N      -3.327597     -5.439383      5.474976
  C      -2.368185     -6.450940      4.990317
  C      -3.080218     -7.355370      4.000675
  H      -1.982279     -7.088389      5.797845
  H      -1.477373     -5.990564      4.517123
  H      -3.882211     -7.888757      4.530173
  H      -2.404106     -8.102767      3.547803
  H      -7.053651     -7.054974      2.945979
  H      -5.996787     -7.188951      4.337539
  H      -5.150854     -6.734530      1.429893
  H      -4.883839     -8.218919      2.389298
  H      -2.386157     -4.641948      0.473054
  H      -4.099760     -5.025609      0.634586
  H      -1.759914     -6.112832      2.285866
  H      -2.741571     -7.049876      1.117471
  C       1.117874     -1.115911      2.941713
  N      -0.179580     -0.449894      2.929535
  C      -1.159673     -1.066033      3.826982
  C      -1.693488     -2.429141      3.377671
  C      -2.582815     -2.562765      2.108621
  C      -1.670285     -2.445450      0.862236
  C      -2.369321     -2.264727     -0.495541
  C      -3.428111     -1.159552     -0.456266
  C      -4.383289     -1.387489      0.714486
  C      -3.610958     -1.410094      2.032035
  C     -10.021357     -6.381546      5.999017
  N      -8.627963     -6.684732      5.681358
  C      -7.708683     -5.588222      6.006386
  C      -7.802487     -4.363306      5.099379
  C      -7.398995     -4.516172      3.608802
  C      -8.533630     -5.225328      2.831502
  C      -8.294716     -5.346120      1.318442
  C      -7.665952     -4.068862      0.723355
  C      -7.936132     -2.875742      1.639646
  C      -7.262590     -3.080392      3.000278
  C      -1.997679     -0.900981      9.051924
  N      -2.397872     -1.851440      8.024369
  C      -1.685746     -3.123632      8.134629
  C      -1.953584     -4.027983      6.926300
  C      -3.155213     -5.013516      6.910895
  C      -2.865837     -6.241681      7.811953
  C      -2.985978     -6.023472      9.331112
  C      -4.231528     -5.206943      9.738323
  C      -5.179725     -5.053120      8.552136
  C      -4.478219     -4.346873      7.390173
  H       1.519780     -1.277898      3.964567
  H       1.843008     -0.519270      2.372993
  H       1.044157     -2.101183      2.458196
  H      -0.054113      0.524538      3.206141
  H      -0.734495     -1.217751      4.848160
  H      -2.002173     -0.367708      3.936714
  H      -0.869500     -3.157781      3.287148
  H      -2.305641     -2.789265      4.216695
  H      -0.964323     -3.293247      0.830632
  H      -1.055734     -1.550998      1.055451
  H      -1.607393     -2.037914     -1.259032
  H      -2.860121     -3.196634     -0.818690
  H      -3.971595     -1.123376     -1.414360
  H      -2.937004     -0.177370     -0.328638
  H      -5.147316     -0.594321      0.748509
  H      -4.923622     -2.339565      0.579138
  H      -4.299273     -1.466741      2.882578
  H      -3.067020     -0.453886      2.119993
  H     -10.166883     -5.982799      7.025632
  H     -10.418590     -5.632908      5.297694
  H     -10.629333     -7.290809      5.888792
  H      -8.343784     -7.504020      6.221723
  H      -7.857134     -5.237272      7.051909
  H      -6.683232     -5.984914      5.956264
  H      -7.143558     -3.601629      5.543207
  H      -8.817057     -3.932226      5.141125
  H      -8.769603     -6.198069      3.282188
  H      -9.427832     -4.602953      2.997019
  H      -9.261892     -5.555727      0.834309
  H      -7.651296     -6.211371      1.096469
  H      -8.051578     -3.883315     -0.290775
  H      -6.575154     -4.196649      0.630275
  H      -9.025522     -2.738255      1.752980
  H      -7.553069     -1.946111      1.189631
  H      -6.190198     -2.879360      2.884764
  H      -7.643159     -2.340302      3.719705
  H      -2.327227     -1.264587     10.037830
  H      -2.481376      0.070324      8.874654
  H      -0.898920     -0.739800      9.108907
  H      -2.206656     -1.452538      7.099144
  H      -1.987518     -3.592825      9.084044
  H      -0.585326     -2.965983      8.216696
  H      -2.081204     -3.365602      6.058026
  H      -1.045256     -4.618760      6.721492
  H      -1.853964     -6.624516      7.613727
  H      -3.567991     -7.037023      7.509343
  H      -3.015158     -7.016216      9.805211
  H      -2.073263     -5.542748      9.712177
  H      -4.740959     -5.681783     10.590853
  H      -3.932309     -4.200655     10.076492
  H      -6.067295     -4.469598      8.843177
  H      -5.553270     -6.043011      8.233127
  H      -4.277450     -3.303851      7.677960
  H      -5.162991     -4.306505      6.535424
  N      -4.714847     -2.834521      4.746655
  N      -4.971104     -1.831026      5.246605
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.502397939275
  N      -3.278652     -3.887171      2.255475
  C      -3.149047     -4.900508      1.212542
  C      -2.773918     -6.230960      1.841469
  N      -3.718519     -6.526175      2.940408
  C      -4.993861     -7.100978      2.444733
  C      -6.110477     -6.662762      3.372355
  N      -6.061949     -5.200234      3.509057
  Mo     -4.217802     -4.545292      3.913745
  N      -3.298574     -5.470867      5.466177
  C      -2.358969     -6.486580      4.967495
  C      -3.094713     -7.373880      3.982508
  H      -1.975201     -7.133795      5.767125
  H      -1.467258     -6.034184      4.488787
  H      -3.899638     -7.897425      4.517168
  H      -2.435163     -8.128294      3.517559
  H      -7.064751     -7.014468      2.965096
  H      -6.001685     -7.171484      4.349465
  H      -5.179007     -6.700335      1.439213
  H      -4.917312     -8.200418      2.374965
  H      -2.372626     -4.651693      0.481112
  H      -4.093203     -5.007592      0.642355
  H      -1.769956     -6.142928      2.279895
  H      -2.767623     -7.058015      1.107478
  C       1.054298     -0.984284      2.945701
  N      -0.266774     -0.365965      2.912894
  C      -1.231373     -1.009404      3.807859
  C      -1.716626     -2.394674      3.371892
  C      -2.583342     -2.563615      2.094540
  C      -1.661208     -2.467550      0.853705
  C      -2.348964     -2.337178     -0.513573
  C      -3.419457     -1.246053     -0.514993
  C      -4.384558     -1.452498      0.651023
  C      -3.628039     -1.430758      1.976544
  C     -10.044795     -6.227974      6.021205
  N      -8.658478     -6.572620      5.724385
  C      -7.712464     -5.495772      6.038045
  C      -7.768628     -4.283715      5.108974
  C      -7.369235     -4.474014      3.622152
  C      -8.515779     -5.180709      2.861076
  C      -8.272801     -5.347750      1.353867
  C      -7.614887     -4.099942      0.729913
  C      -7.870060     -2.877015      1.608923
  C      -7.204363     -3.056346      2.978229
  C      -2.162390     -0.963218      9.114096
  N      -2.489471     -1.913974      8.060566
  C      -1.717425     -3.153884      8.157243
  C      -1.942143     -4.050177      6.932330
  C      -3.121453     -5.060490      6.904998
  C      -2.803885     -6.293223      7.793826
  C      -2.909171     -6.084953      9.314740
  C      -4.160023     -5.284573      9.739225
  C      -5.126040     -5.145706      8.567432
  C      -4.454002     -4.424042      7.398356
  H       1.453318     -1.123045      3.974895
  H       1.763077     -0.365908      2.377361
  H       1.021152     -1.976036      2.468617
  H      -0.181028      0.616061      3.179999
  H      -0.811225     -1.135598      4.832222
  H      -2.095268     -0.337645      3.907344
  H      -0.870344     -3.098928      3.297272
  H      -2.328371     -2.763152      4.211047
  H      -0.942032     -3.302897      0.854411
  H      -1.063933     -1.558614      1.025474
  H      -1.583433     -2.123740     -1.276684
  H      -2.825253     -3.282396     -0.813246
  H      -3.953283     -1.242562     -1.477271
  H      -2.941353     -0.257962     -0.410586
  H      -5.160077     -0.670924      0.654729
  H      -4.908486     -2.415920      0.538454
  H      -4.325580     -1.476732      2.817828
  H      -3.102056     -0.464886      2.048294
  H     -10.190758     -5.809228      7.040841
  H     -10.411621     -5.481144      5.301982
  H     -10.675093     -7.121737      5.919245
  H      -8.401365     -7.389917      6.279563
  H      -7.860457     -5.121516      7.075928
  H      -6.697575     -5.920162      6.003613
  H      -7.089702     -3.530807      5.540430
  H      -8.772440     -3.825568      5.139261
  H      -8.772372     -6.135103      3.339265
  H      -9.398949     -4.537665      3.005467
  H      -9.242240     -5.548670      0.869751
  H      -7.648169     -6.232237      1.158525
  H      -7.985941     -3.936799     -0.293742
  H      -6.525655     -4.251755      0.652944
  H      -8.957382     -2.720075      1.712830
  H      -7.472015     -1.966054      1.135964
  H      -6.125806     -2.880221      2.857225
  H      -7.568357     -2.287713      3.677773
  H      -2.486284     -1.366057     10.087897
  H      -2.700436     -0.021641      8.945907
  H      -1.076566     -0.738035      9.193428
  H      -2.316176     -1.490895      7.146912
  H      -2.012207     -3.652553      9.093160
  H      -0.626102     -2.949934      8.255830
  H      -2.082511     -3.382161      6.069009
  H      -1.017525     -4.615119      6.727688
  H      -1.789805     -6.659656      7.584447
  H      -3.497794     -7.095626      7.494819
  H      -2.922263     -7.083109      9.782726
  H      -1.996231     -5.596798      9.688703
  H      -4.650843     -5.763548     10.600046
  H      -3.871764     -4.272702     10.069719
  H      -6.020799     -4.579392      8.869586
  H      -5.484261     -6.140584      8.255206
  H      -4.271605     -3.377685      7.684798
  H      -5.150605     -4.398031      6.553750
  N      -4.634636     -2.841879      4.769762
  N      -4.861059     -1.835161      5.276072
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.502853047828
  N      -3.257361     -3.899518      2.275723
  C      -3.143622     -4.911579      1.230973
  C      -2.783410     -6.245776      1.858512
  N      -3.727637     -6.533080      2.959095
  C      -5.007731     -7.100790      2.469625
  C      -6.116441     -6.652321      3.400791
  N      -6.060848     -5.190911      3.525210
  Mo     -4.212497     -4.547365      3.927213
  N      -3.298408     -5.472068      5.479715
  C      -2.362824     -6.489243      4.982059
  C      -3.105441     -7.378537      4.003802
  H      -1.976536     -7.133285      5.784013
  H      -1.472830     -6.039860      4.497265
  H      -3.910590     -7.896447      4.543714
  H      -2.450291     -8.138168      3.540214
  H      -7.076646     -7.002663      3.002874
  H      -6.003001     -7.152706      4.382138
  H      -5.195262     -6.700552      1.464206
  H      -4.937765     -8.201073      2.401252
  H      -2.363436     -4.670653      0.500294
  H      -4.089316     -5.006076      0.660062
  H      -1.777709     -6.168563      2.295421
  H      -2.786592     -7.072488      1.124022
  C       1.060003     -0.944043      2.849237
  N      -0.274461     -0.355138      2.874194
  C      -1.189403     -1.029556      3.798682
  C      -1.663033     -2.417354      3.359184
  C      -2.565292     -2.576613      2.104748
  C      -1.667442     -2.482473      0.845807
  C      -2.378773     -2.339898     -0.508444
  C      -3.447490     -1.246600     -0.484372
  C      -4.390633     -1.456455      0.698993
  C      -3.607777     -1.439386      2.009447
  C     -10.076695     -6.235847      5.978607
  N      -8.689441     -6.581871      5.687767
  C      -7.741323     -5.514265      6.024993
  C      -7.783264     -4.289504      5.112058
  C      -7.366816     -4.463341      3.628415
  C      -8.500073     -5.169989      2.848298
  C      -8.237000     -5.325234      1.342417
  C      -7.566502     -4.075233      0.736799
  C      -7.839333     -2.856957      1.615100
  C      -7.205559     -3.038874      2.999660
  C      -2.195155     -0.937032      9.099326
  N      -2.519700     -1.899691      8.055687
  C      -1.728106     -3.127404      8.150634
  C      -1.948102     -4.037522      6.933819
  C      -3.121338     -5.058383      6.914395
  C      -2.791162     -6.293732      7.795252
  C      -2.901310     -6.098073      9.317520
  C      -4.162582     -5.316081      9.745879
  C      -5.127446     -5.177280      8.572478
  C      -4.461504     -4.438068      7.410143
  H       1.501967     -1.084564      3.860090
  H       1.732640     -0.305103      2.260166
  H       1.029229     -1.930940      2.363155
  H      -0.200779      0.625513      3.148100
  H      -0.726040     -1.159820      4.803910
  H      -2.061989     -0.376846      3.941712
  H      -0.804088     -3.100089      3.238526
  H      -2.232521     -2.816340      4.212868
  H      -0.954980     -3.324062      0.829989
  H      -1.059903     -1.578306      1.010616
  H      -1.625380     -2.122324     -1.282814
  H      -2.861932     -3.282432     -0.808123
  H      -4.000305     -1.237662     -1.436478
  H      -2.965319     -0.258982     -0.384772
  H      -5.165714     -0.674463      0.720018
  H      -4.917361     -2.420097      0.594446
  H      -4.289138     -1.484523      2.864722
  H      -3.077275     -0.474983      2.072146
  H     -10.229612     -5.833897      7.003989
  H     -10.433739     -5.475392      5.268859
  H     -10.710178     -7.125034      5.856496
  H      -8.439897     -7.408855      6.232166
  H      -7.897879     -5.153334      7.066168
  H      -6.728735     -5.943427      5.994463
  H      -7.108475     -3.542945      5.560098
  H      -8.787050     -3.830821      5.136139
  H      -8.755309     -6.129939      3.316532
  H      -9.388242     -4.532396      2.986548
  H      -9.200503     -5.518888      0.843707
  H      -7.613428     -6.210430      1.147491
  H      -7.918457     -3.906948     -0.292641
  H      -6.475978     -4.227242      0.678976
  H      -8.929070     -2.701620      1.695546
  H      -7.432639     -1.944047      1.153729
  H      -6.128395     -2.843502      2.912217
  H      -7.602944     -2.282602      3.694370
  H      -2.497319     -1.340694     10.079422
  H      -2.754339     -0.006694      8.933716
  H      -1.112565     -0.690867      9.161793
  H      -2.369648     -1.480144      7.135828
  H      -2.006656     -3.625016      9.091349
  H      -0.640100     -2.904518      8.238273
  H      -2.090439     -3.378409      6.063005
  H      -1.019169     -4.597491      6.735072
  H      -1.772921     -6.649212      7.583672
  H      -3.477307     -7.100685      7.490148
  H      -2.903083     -7.099589      9.777493
  H      -1.994811     -5.603092      9.696445
  H      -4.650381     -5.808665     10.600867
  H      -3.887153     -4.304207     10.086990
  H      -6.029567     -4.624164      8.876830
  H      -5.473852     -6.174429      8.252484
  H      -4.289894     -3.392983      7.706249
  H      -5.157647     -4.411623      6.564330
  N      -4.609022     -2.839815      4.779567
  N      -4.824789     -1.830675      5.286272
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.503172883627
  N      -3.215012     -3.914814      2.286062
  C      -3.104646     -4.926022      1.237454
  C      -2.768697     -6.266172      1.864107
  N      -3.723520     -6.546942      2.957878
  C      -5.007030     -7.100428      2.460943
  C      -6.112237     -6.648616      3.394862
  N      -6.048386     -5.187100      3.526350
  Mo     -4.194056     -4.559067      3.925148
  N      -3.291373     -5.486198      5.478171
  C      -2.363838     -6.514206      4.986419
  C      -3.113443     -7.398252      4.006728
  H      -1.986668     -7.160272      5.791533
  H      -1.467058     -6.076143      4.503291
  H      -3.925183     -7.906450      4.546017
  H      -2.465399     -8.166446      3.546134
  H      -7.075797     -6.992825      2.997214
  H      -5.998310     -7.153886      4.374736
  H      -5.190772     -6.688697      1.459170
  H      -4.945731     -8.201081      2.381910
  H      -2.309006     -4.694395      0.520022
  H      -4.042428     -5.006467      0.649870
  H      -1.764965     -6.203862      2.308507
  H      -2.776139     -7.090191      1.126261
  C       1.040004     -0.853295      2.789370
  N      -0.308955     -0.298928      2.817878
  C      -1.196156     -0.979263      3.764995
  C      -1.642308     -2.384140      3.351566
  C      -2.541738     -2.581290      2.098424
  C      -1.633212     -2.498936      0.845859
  C      -2.332212     -2.391186     -0.518312
  C      -3.415341     -1.310678     -0.525356
  C      -4.366549     -1.509879      0.653368
  C      -3.595443     -1.457626      1.970717
  C     -10.065055     -6.225981      6.010841
  N      -8.686991     -6.588709      5.695705
  C      -7.718242     -5.539763      6.032809
  C      -7.753063     -4.301245      5.136973
  C      -7.352877     -4.456652      3.646519
  C      -8.495734     -5.149173      2.866377
  C      -8.257392     -5.269520      1.352607
  C      -7.594894     -4.006664      0.765934
  C      -7.860022     -2.810181      1.674955
  C      -7.199030     -3.021734      3.042081
  C      -2.227940     -0.968306      9.146171
  N      -2.547363     -1.919280      8.091589
  C      -1.740477     -3.136323      8.160867
  C      -1.962609     -4.038705      6.938779
  C      -3.132450     -5.066431      6.911675
  C      -2.803561     -6.297753      7.797509
  C      -2.936086     -6.103583      9.318970
  C      -4.205856     -5.327463      9.730654
  C      -5.159351     -5.198928      8.545840
  C      -4.485960     -4.456572      7.389073
  H       1.496403     -0.962342      3.796470
  H       1.689480     -0.210045      2.180110
  H       1.028534     -1.849159      2.323206
  H      -0.258079      0.687884      3.071780
  H      -0.718032     -1.081588      4.767755
  H      -2.083646     -0.345874      3.908413
  H      -0.769421     -3.050285      3.239185
  H      -2.199505     -2.779771      4.211462
  H      -0.908692     -3.331163      0.854671
  H      -1.040150     -1.582240      0.998482
  H      -1.572938     -2.178154     -1.288636
  H      -2.800633     -3.346163     -0.806069
  H      -3.960409     -1.326360     -1.482985
  H      -2.945649     -0.313865     -0.439996
  H      -5.151525     -0.737079      0.651968
  H      -4.881561     -2.482493      0.563740
  H      -4.284002     -1.492874      2.821408
  H      -3.075417     -0.485749      2.019102
  H     -10.198029     -5.837171      7.043673
  H     -10.419716     -5.449431      5.317337
  H     -10.714476     -7.103597      5.884356
  H      -8.441507     -7.427787      6.223699
  H      -7.855939     -5.189760      7.080484
  H      -6.712930     -5.983231      5.984132
  H      -7.062231     -3.571542      5.587882
  H      -8.749529     -3.828607      5.179242
  H      -8.740856     -6.119332      3.317731
  H      -9.384435     -4.518914      3.033145
  H      -9.229848     -5.447037      0.865662
  H      -7.641330     -6.152533      1.124919
  H      -7.956854     -3.817015     -0.256144
  H      -6.504142     -4.154041      0.694756
  H      -8.949262     -2.664067      1.779822
  H      -7.467891     -1.884245      1.227189
  H      -6.124673     -2.828753      2.935401
  H      -7.578224     -2.278013      3.759448
  H      -2.513113     -1.392894     10.121398
  H      -2.805129     -0.044324      9.000138
  H      -1.148966     -0.704410      9.202883
  H      -2.422789     -1.484528      7.172986
  H      -2.000411     -3.648485      9.099174
  H      -0.654868     -2.900344      8.236911
  H      -2.106351     -3.377154      6.070800
  H      -1.032050     -4.594830      6.738271
  H      -1.779345     -6.646544      7.597928
  H      -3.480633     -7.110314      7.484833
  H      -2.942888     -7.105293      9.775996
  H      -2.036851     -5.608145      9.712775
  H      -4.698982     -5.818569     10.583164
  H      -3.939424     -4.312461     10.069472
  H      -6.068671     -4.651196      8.838483
  H      -5.495097     -6.200940      8.225412
  H      -4.327958     -3.409576      7.685055
  H      -5.172737     -4.439967      6.533489
  N      -4.576486     -2.853119      4.781331
  N      -4.786563     -1.843732      5.291323
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.503453423295
  N      -3.181020     -3.941018      2.303651
  C      -3.072925     -4.949896      1.249177
  C      -2.760233     -6.297114      1.872457
  N      -3.725294     -6.572744      2.960111
  C      -5.012244     -7.112262      2.455851
  C      -6.117149     -6.656460      3.389659
  N      -6.042757     -5.194190      3.531824
  Mo     -4.181688     -4.582743      3.929621
  N      -3.284066     -5.513145      5.480000
  C      -2.366279     -6.551796      4.988798
  C      -3.125872     -7.430982      4.010903
  H      -1.992750     -7.199188      5.794531
  H      -1.466326     -6.124139      4.502346
  H      -3.942816     -7.929464      4.551270
  H      -2.486225     -8.207199      3.551602
  H      -7.082106     -6.992240      2.987672
  H      -6.008168     -7.169679      4.366547
  H      -5.189713     -6.689921      1.457086
  H      -4.960358     -8.212909      2.366612
  H      -2.263622     -4.726370      0.544504
  H      -4.002584     -5.017640      0.646283
  H      -1.758069     -6.250710      2.322670
  H      -2.772982     -7.116882      1.129811
  C       0.988129     -0.725015      2.768384
  N      -0.384102     -0.231848      2.808317
  C      -1.231198     -0.949860      3.764803
  C      -1.628563     -2.369077      3.349478
  C      -2.537212     -2.591846      2.105247
  C      -1.636459     -2.492036      0.846677
  C      -2.341488     -2.392937     -0.515784
  C      -3.448814     -1.336018     -0.515398
  C      -4.389123     -1.556948      0.668264
  C      -3.611729     -1.488327      1.981529
  C     -10.113696     -6.115120      6.009243
  N      -8.740584     -6.514590      5.716267
  C      -7.752733     -5.479362      6.038609
  C      -7.751612     -4.259666      5.116334
  C      -7.342491     -4.449601      3.631607
  C      -8.489883     -5.137855      2.853379
  C      -8.240939     -5.287871      1.344113
  C      -7.548993     -4.047723      0.743996
  C      -7.808602     -2.831668      1.628766
  C      -7.166693     -3.027536      3.007280
  C      -2.207697     -1.028450      9.203233
  N      -2.551853     -1.967639      8.147306
  C      -1.713669     -3.162947      8.156589
  C      -1.960360     -4.049735      6.928944
  C      -3.124770     -5.084001      6.910988
  C      -2.782041     -6.307035      7.801843
  C      -2.910253     -6.107467      9.323411
  C      -4.182796     -5.337910      9.736494
  C      -5.143555     -5.223376      8.555414
  C      -4.480534     -4.480629      7.392926
  H       1.458268     -0.809786      3.770753
  H       1.602406     -0.056021      2.150880
  H       1.016379     -1.721859      2.305630
  H      -0.374977      0.756581      3.060178
  H      -0.735419     -1.035712      4.761064
  H      -2.142057     -0.353360      3.922704
  H      -0.731830     -2.999371      3.219412
  H      -2.155840     -2.791655      4.213171
  H      -0.896204     -3.310819      0.852515
  H      -1.061359     -1.563659      0.997993
  H      -1.588488     -2.159102     -1.286507
  H      -2.789317     -3.356552     -0.808569
  H      -3.999021     -1.362080     -1.470458
  H      -3.000538     -0.328287     -0.431065
  H      -5.190072     -0.800530      0.671406
  H      -4.884978     -2.539931      0.582033
  H      -4.294864     -1.534642      2.837356
  H      -3.108302     -0.507068      2.025631
  H     -10.248514     -5.701094      7.031631
  H     -10.444249     -5.346193      5.295586
  H     -10.781433     -6.980957      5.894936
  H      -8.517358     -7.347063      6.264552
  H      -7.892826     -5.103014      7.076624
  H      -6.757378     -5.945429      6.010831
  H      -7.047591     -3.537023      5.557868
  H      -8.737254     -3.764150      5.141910
  H      -8.754088     -6.095374      3.319711
  H      -9.370477     -4.491753      3.001787
  H      -9.213192     -5.451279      0.851960
  H      -7.642922     -6.188285      1.134662
  H      -7.892652     -3.871150     -0.286626
  H      -6.459854     -4.212666      0.691483
  H      -8.897161     -2.670415      1.719396
  H      -7.400246     -1.918423      1.169167
  H      -6.089762     -2.846482      2.912399
  H      -7.548454     -2.269806      3.707732
  H      -2.433613     -1.479268     10.181883
  H      -2.816503     -0.118044      9.102915
  H      -1.134618     -0.735192      9.214383
  H      -2.489974     -1.513844      7.230510
  H      -1.918914     -3.700906      9.095023
  H      -0.632063     -2.900176      8.190428
  H      -2.121854     -3.380618      6.070591
  H      -1.031577     -4.600569      6.706654
  H      -1.755762     -6.648793      7.598361
  H      -3.454409     -7.126637      7.496819
  H      -2.910350     -7.107117      9.783735
  H      -2.012908     -5.605894      9.712792
  H      -4.667895     -5.826789     10.594944
  H      -3.920947     -4.318871     10.067312
  H      -6.055012     -4.680239      8.849773
  H      -5.474213     -6.230252      8.241780
  H      -4.326511     -3.432774      7.687949
  H      -5.171101     -4.469188      6.539773
  N      -4.546133     -2.876681      4.788343
  N      -4.747440     -1.866884      5.302899
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.503700482850
  N      -3.157805     -3.957338      2.313195
  C      -3.052588     -4.966157      1.257291
  C      -2.764249     -6.318187      1.880915
  N      -3.738527     -6.582278      2.963796
  C      -5.029913     -7.106305      2.454588
  C      -6.132639     -6.642924      3.388051
  N      -6.045590     -5.181016      3.537524
  Mo     -4.176729     -4.587707      3.932179
  N      -3.283922     -5.523555      5.480129
  C      -2.379379     -6.574983      4.991583
  C      -3.151632     -7.446919      4.016491
  H      -2.013542     -7.224313      5.798916
  H      -1.474723     -6.160733      4.503011
  H      -3.975507     -7.932381      4.557901
  H      -2.523002     -8.232733      3.559140
  H      -7.099187     -6.969167      2.983836
  H      -6.029149     -7.160530      4.362949
  H      -5.200681     -6.676143      1.457875
  H      -4.989613     -8.206637      2.358955
  H      -2.230020     -4.752928      0.564074
  H      -3.974125     -5.020929      0.641229
  H      -1.763894     -6.287749      2.335840
  H      -2.784977     -7.135877      1.136519
  C       0.972768     -0.668062      2.775340
  N      -0.410392     -0.204104      2.792772
  C      -1.253264     -0.927841      3.748865
  C      -1.626430     -2.356879      3.344151
  C      -2.526548     -2.604484      2.098090
  C      -1.618566     -2.520404      0.842894
  C      -2.314658     -2.444933     -0.525273
  C      -3.426256     -1.393102     -0.547526
  C      -4.372647     -1.597752      0.634180
  C      -3.604051     -1.507608      1.951014
  C     -10.112641     -6.114070      5.991937
  N      -8.741354     -6.515182      5.694067
  C      -7.749025     -5.489951      6.033293
  C      -7.742837     -4.255628      5.131417
  C      -7.339865     -4.429418      3.643864
  C      -8.495239     -5.100364      2.862707
  C      -8.253397     -5.236380      1.351189
  C      -7.547422     -3.998678      0.762558
  C      -7.792923     -2.787489      1.659074
  C      -7.149262     -3.003277      3.033742
  C      -2.270283     -1.043778      9.224394
  N      -2.616872     -1.989925      8.176430
  C      -1.727080     -3.145909      8.139275
  C      -1.980121     -4.032422      6.913719
  C      -3.122311     -5.089699      6.910007
  C      -2.748931     -6.305147      7.799336
  C      -2.869487     -6.111725      9.322234
  C      -4.146715     -5.355821      9.744996
  C      -5.122036     -5.259528      8.574342
  C      -4.482759     -4.508306      7.404800
  H       1.433644     -0.726656      3.784340
  H       1.579263      0.004815      2.154005
  H       1.027874     -1.671627      2.328436
  H      -0.424847      0.787876      3.031830
  H      -0.763315     -0.996557      4.748427
  H      -2.174522     -0.345043      3.895616
  H      -0.719675     -2.974597      3.224428
  H      -2.152575     -2.780105      4.208643
  H      -0.875727     -3.335914      0.866594
  H      -1.049679     -1.587357      0.983554
  H      -1.557611     -2.218484     -1.293964
  H      -2.755757     -3.414036     -0.807126
  H      -3.970690     -1.436759     -1.504630
  H      -2.982967     -0.383011     -0.477415
  H      -5.174451     -0.842714      0.620806
  H      -4.866938     -2.581698      0.560750
  H      -4.291890     -1.541592      2.803412
  H      -3.102708     -0.525454      1.983010
  H     -10.246842     -5.716311      7.020915
  H     -10.438256     -5.331814      5.290653
  H     -10.784445     -6.974332      5.862375
  H      -8.521980     -7.357352      6.228459
  H      -7.885670     -5.129965      7.077595
  H      -6.755760     -5.960664      5.995825
  H      -7.030234     -3.545797      5.580404
  H      -8.724523     -3.753139      5.168115
  H      -8.766834     -6.059998      3.320789
  H      -9.370067     -4.449060      3.021058
  H      -9.229967     -5.379583      0.861042
  H      -7.669689     -6.143012      1.128355
  H      -7.888088     -3.809379     -0.266866
  H      -6.460239     -4.174781      0.708928
  H      -8.879417     -2.616831      1.755176
  H      -7.377528     -1.873762      1.206951
  H      -6.069427     -2.834524      2.936635
  H      -7.519113     -2.247624      3.742945
  H      -2.433064     -1.510994     10.208533
  H      -2.922429     -0.161406      9.157960
  H      -1.211960     -0.702155      9.192618
  H      -2.619505     -1.528503      7.262555
  H      -1.867387     -3.701370      9.079742
  H      -0.656986     -2.835742      8.130659
  H      -2.170996     -3.363592      6.061109
  H      -1.044696     -4.564106      6.672456
  H      -1.718905     -6.627860      7.586401
  H      -3.408182     -7.136981      7.499918
  H      -2.857214     -7.113354      9.779435
  H      -1.974951     -5.602807      9.708286
  H      -4.616199     -5.846362     10.611192
  H      -3.893681     -4.331677     10.067289
  H      -6.037811     -4.728824      8.877570
  H      -5.441340     -6.271363      8.266470
  H      -4.340582     -3.459347      7.701138
  H      -5.181367     -4.506106      6.559060
  N      -4.517599     -2.876803      4.788089
  N      -4.705482     -1.864387      5.303419
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.503790057948
  N      -3.125420     -3.964339      2.333997
  C      -3.007967     -4.969512      1.275516
  C      -2.744598     -6.327107      1.897433
  N      -3.736650     -6.586565      2.965229
  C      -5.025975     -7.094052      2.435377
  C      -6.136372     -6.634128      3.361404
  N      -6.040135     -5.175002      3.530840
  Mo     -4.167224     -4.596053      3.939659
  N      -3.283430     -5.543168      5.484934
  C      -2.395004     -6.610935      5.004371
  C      -3.173677     -7.465309      4.018861
  H      -2.051010     -7.268809      5.813506
  H      -1.477475     -6.213560      4.526505
  H      -4.011221     -7.937856      4.550389
  H      -2.554823     -8.259385      3.563629
  H      -7.098774     -6.947101      2.939301
  H      -6.050490     -7.164022      4.330446
  H      -5.182043     -6.648392      1.442884
  H      -4.993161     -8.192746      2.325300
  H      -2.165873     -4.761539      0.604012
  H      -3.914156     -5.011779      0.637091
  H      -1.750956     -6.310092      2.366455
  H      -2.763933     -7.140305      1.148681
  C       0.975417     -0.630094      2.733920
  N      -0.413485     -0.182707      2.763386
  C      -1.236492     -0.909037      3.734609
  C      -1.605942     -2.342464      3.343540
  C      -2.513082     -2.603667      2.106706
  C      -1.616446     -2.518663      0.842961
  C      -2.324712     -2.452230     -0.518693
  C      -3.439285     -1.404272     -0.534983
  C      -4.375239     -1.605287      0.655277
  C      -3.596986     -1.513030      1.965415
  C     -10.080481     -6.129985      5.992086
  N      -8.709661     -6.523786      5.685735
  C      -7.719165     -5.497270      6.027306
  C      -7.723551     -4.256098      5.134730
  C      -7.332819     -4.423448      3.643636
  C      -8.495086     -5.095545      2.874877
  C      -8.275562     -5.225957      1.359998
  C      -7.578222     -3.986513      0.766342
  C      -7.812463     -2.777449      1.669868
  C      -7.139197     -2.998468      3.029275
  C      -2.282415     -1.055090      9.220034
  N      -2.631292     -2.010536      8.181634
  C      -1.725765     -3.154017      8.133122
  C      -1.984090     -4.048345      6.914484
  C      -3.127555     -5.102412      6.914841
  C      -2.769386     -6.313314      7.817185
  C      -2.907268     -6.115051      9.337835
  C      -4.173728     -5.330908      9.740201
  C      -5.141765     -5.239796      8.563677
  C      -4.487230     -4.506671      7.392254
  H       1.449819     -0.671163      3.738426
  H       1.565708      0.044024      2.097797
  H       1.038308     -1.638156      2.296758
  H      -0.436651      0.811281      2.995287
  H      -0.731204     -0.970290      4.725569
  H      -2.158540     -0.331730      3.894407
  H      -0.697801     -2.957956      3.224702
  H      -2.129525     -2.759939      4.213429
  H      -0.868489     -3.328487      0.863542
  H      -1.053727     -1.581410      0.975694
  H      -1.575769     -2.226241     -1.295001
  H      -2.764792     -3.422932     -0.792114
  H      -3.991776     -1.454085     -1.486133
  H      -2.999123     -0.393798     -0.474000
  H      -5.175821     -0.849322      0.646559
  H      -4.871468     -2.587337      0.588736
  H      -4.277461     -1.546066      2.823082
  H      -3.097320     -0.530833      1.992430
  H     -10.211569     -5.739477      7.024639
  H     -10.411412     -5.344409      5.297057
  H     -10.749443     -6.991468      5.859716
  H      -8.484673     -7.368860      6.212316
  H      -7.849747     -5.145298      7.075420
  H      -6.724019     -5.964393      5.978764
  H      -7.006005     -3.549172      5.581278
  H      -8.705471     -3.754734      5.183337
  H      -8.758154     -6.057020      3.334749
  H      -9.370300     -4.448597      3.047413
  H      -9.260145     -5.364079      0.884257
  H      -7.697767     -6.132695      1.123178
  H      -7.929185     -3.796214     -0.259518
  H      -6.491754     -4.161345      0.701353
  H      -8.897181     -2.611813      1.789135
  H      -7.409867     -1.860442      1.213353
  H      -6.058675     -2.847112      2.900971
  H      -7.476333     -2.235207      3.747240
  H      -2.425636     -1.518899     10.209611
  H      -2.944721     -0.181177      9.158122
  H      -1.228885     -0.700835      9.172048
  H      -2.659454     -1.554448      7.267602
  H      -1.837725     -3.708222      9.077750
  H      -0.659892     -2.828378      8.101268
  H      -2.175355     -3.384304      6.058551
  H      -1.050810     -4.584775      6.674170
  H      -1.740415     -6.644539      7.615529
  H      -3.431331     -7.142146      7.516420
  H      -2.924011     -7.117268      9.795803
  H      -2.007921     -5.625398      9.737820
  H      -4.655090     -5.797776     10.612769
  H      -3.905475     -4.305006     10.043676
  H      -6.052862     -4.694864      8.855764
  H      -5.470508     -6.250262      8.265480
  H      -4.336327     -3.458268      7.684576
  H      -5.177861     -4.503934      6.540773
  N      -4.498701     -2.887638      4.803759
  N      -4.679357     -1.877157      5.325443
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.503892485610
  N      -3.123160     -3.970348      2.343322
  C      -3.001631     -4.976083      1.286340
  C      -2.744145     -6.334224      1.909751
  N      -3.741097     -6.588707      2.974044
  C      -5.029588     -7.092182      2.439016
  C      -6.143201     -6.630659      3.360240
  N      -6.045738     -5.171742      3.531029
  Mo     -4.171609     -4.596098      3.946803
  N      -3.284805     -5.544219      5.490924
  C      -2.402982     -6.618564      5.014553
  C      -3.185486     -7.469460      4.029663
  H      -2.064748     -7.276732      5.826065
  H      -1.482604     -6.227244      4.537008
  H      -4.027267     -7.935906      4.559932
  H      -2.570215     -8.267854      3.577050
  H      -7.104533     -6.941907      2.934573
  H      -6.063175     -7.161211      4.329310
  H      -5.179749     -6.645939      1.445645
  H      -4.999984     -8.190984      2.329202
  H      -2.156753     -4.769549      0.617527
  H      -3.905292     -5.017457      0.644187
  H      -1.751598     -6.320881      2.381245
  H      -2.765098     -7.147263      1.161045
  C       0.935143     -0.581701      2.735376
  N      -0.460592     -0.156128      2.754535
  C      -1.276179     -0.884177      3.731088
  C      -1.625538     -2.324605      3.348653
  C      -2.522066     -2.605867      2.108663
  C      -1.615101     -2.521081      0.852195
  C      -2.312067     -2.479224     -0.515704
  C      -3.440587     -1.446725     -0.553791
  C      -4.382813     -1.643966      0.632176
  C      -3.615725     -1.527905      1.947062
  C     -10.103073     -6.141884      5.969321
  N      -8.730714     -6.533033      5.665675
  C      -7.742122     -5.507412      6.015953
  C      -7.742381     -4.262104      5.129293
  C      -7.338394     -4.419599      3.639914
  C      -8.495270     -5.081847      2.855204
  C      -8.261965     -5.202419      1.341128
  C      -7.547558     -3.965379      0.763330
  C      -7.784627     -2.759083      1.669491
  C      -7.136801     -2.989683      3.039693
  C      -2.199981     -1.071242      9.245500
  N      -2.589953     -2.024183      8.218972
  C      -1.689409     -3.170761      8.137970
  C      -1.973295     -4.055066      6.917393
  C      -3.124273     -5.101351      6.920721
  C      -2.770649     -6.313447      7.821561
  C      -2.907041     -6.115824      9.342313
  C      -4.168475     -5.323955      9.744796
  C      -5.137777     -5.232453      8.569357
  C      -4.480416     -4.499188      7.399810
  H       1.406542     -0.600182      3.742060
  H       1.516622      0.092485      2.091377
  H       1.016263     -1.595172      2.313959
  H      -0.500231      0.839828      2.975017
  H      -0.770545     -0.931303      4.722499
  H      -2.205233     -0.316726      3.884478
  H      -0.707294     -2.926705      3.236588
  H      -2.146014     -2.746934      4.218424
  H      -0.856945     -3.320679      0.887115
  H      -1.065720     -1.575086      0.981859
  H      -1.559536     -2.250727     -1.287890
  H      -2.735271     -3.459824     -0.781560
  H      -3.985210     -1.517296     -1.508317
  H      -3.015009     -0.429287     -0.503714
  H      -5.191080     -0.896372      0.608368
  H      -4.868363     -2.632040      0.572367
  H      -4.302649     -1.556602      2.799598
  H      -3.124937     -0.541057      1.965318
  H     -10.237918     -5.756313      7.003226
  H     -10.433149     -5.353472      5.277168
  H     -10.770484     -7.003636      5.830783
  H      -8.507469     -7.380072      6.190189
  H      -7.877875     -5.160887      7.065008
  H      -6.746765     -5.974088      5.969773
  H      -7.030878     -3.555486      5.585442
  H      -8.726089     -3.763753      5.173125
  H      -8.765746     -6.045931      3.305188
  H      -9.368831     -4.431472      3.023646
  H      -9.243093     -5.328374      0.854917
  H      -7.689652     -6.111941      1.102088
  H      -7.885323     -3.766486     -0.265307
  H      -6.461858     -4.148613      0.709499
  H      -8.869754     -2.584875      1.771909
  H      -7.367095     -1.843823      1.223078
  H      -6.054779     -2.833406      2.936738
  H      -7.492395     -2.233351      3.756310
  H      -2.313411     -1.533416     10.239887
  H      -2.856818     -0.191814      9.206460
  H      -1.145914     -0.725350      9.161611
  H      -2.642454     -1.565406      7.306885
  H      -1.774534     -3.732667      9.081127
  H      -0.624534     -2.844752      8.079627
  H      -2.165404     -3.382863      6.068042
  H      -1.047494     -4.598906      6.663941
  H      -1.743334     -6.648687      7.617439
  H      -3.436537     -7.139031      7.520618
  H      -2.929340     -7.118042      9.799839
  H      -2.005094     -5.631092      9.742710
  H      -4.650785     -5.786241     10.619588
  H      -3.894035     -4.298587     10.044025
  H      -6.047734     -4.685985      8.862456
  H      -5.468334     -6.242337      8.270402
  H      -4.321955     -3.454390      7.699831
  H      -5.170203     -4.485956      6.547956
  N      -4.500073     -2.886533      4.811290
  N      -4.677072     -1.877715      5.337660
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.503916279818
  N      -3.112203     -3.978319      2.346083
  C      -2.979964     -4.986264      1.292590
  C      -2.733178     -6.344132      1.920137
  N      -3.739274     -6.593269      2.976751
  C      -5.024560     -7.094592      2.432410
  C      -6.145038     -6.630717      3.343718
  N      -6.046783     -5.171956      3.513071
  Mo     -4.173563     -4.600191      3.943514
  N      -3.292821     -5.549446      5.491698
  C      -2.413291     -6.628306      5.025149
  C      -3.194286     -7.475531      4.036455
  H      -2.086772     -7.287597      5.840986
  H      -1.486472     -6.242519      4.554748
  H      -4.042063     -7.936281      4.562274
  H      -2.580420     -8.277886      3.588254
  H      -7.102637     -6.940609      2.908314
  H      -6.076682     -7.160422      4.314281
  H      -5.166589     -6.649430      1.437285
  H      -4.996056     -8.193909      2.324453
  H      -2.126588     -4.783146      0.633778
  H      -3.876283     -5.025522      0.639323
  H      -1.744401     -6.333490      2.399814
  H      -2.751365     -7.158400      1.172568
  C       0.936655     -0.582383      2.721519
  N      -0.458992     -0.157576      2.746323
  C      -1.269791     -0.883693      3.728589
  C      -1.622136     -2.324745      3.350712
  C      -2.516110     -2.610111      2.109907
  C      -1.608204     -2.517551      0.854308
  C      -2.304457     -2.476578     -0.513791
  C      -3.435105     -1.446479     -0.551730
  C      -4.378499     -1.648127      0.632462
  C      -3.613645     -1.535469      1.949117
  C     -10.092275     -6.126395      5.990644
  N      -8.721926     -6.519616      5.680168
  C      -7.731045     -5.490418      6.012774
  C      -7.736269     -4.252524      5.115138
  C      -7.338515     -4.417529      3.624120
  C      -8.501724     -5.076295      2.845256
  C      -8.282875     -5.192882      1.328411
  C      -7.569809     -3.956496      0.748846
  C      -7.797240     -2.752671      1.660024
  C      -7.136257     -2.988068      3.022952
  C      -2.219776     -1.075501      9.267141
  N      -2.619593     -2.025725      8.241301
  C      -1.708270     -3.162388      8.136200
  C      -1.998699     -4.039822      6.911839
  C      -3.135021     -5.102633      6.920827
  C      -2.754367     -6.308687      7.817168
  C      -2.879148     -6.111636      9.339218
  C      -4.144862     -5.332541      9.751867
  C      -5.131127     -5.268753      8.588693
  C      -4.501326     -4.527617      7.408379
  H       1.413573     -0.595936      3.725432
  H       1.514162      0.089111      2.071275
  H       1.016260     -1.597400      2.304560
  H      -0.498025      0.838603      2.964603
  H      -0.758035     -0.929975      4.717451
  H      -2.196864     -0.314019      3.886800
  H      -0.704682     -2.929208      3.244004
  H      -2.146406     -2.742360      4.219772
  H      -0.844963     -3.312622      0.887854
  H      -1.063716     -1.568809      0.987333
  H      -1.552232     -2.245438     -1.285755
  H      -2.725025     -3.458595     -0.779906
  H      -3.978942     -1.517508     -1.507151
  H      -3.011979     -0.427503     -0.499978
  H      -5.187149     -0.900707      0.609594
  H      -4.863593     -2.636570      0.567480
  H      -4.302084     -1.568172      2.800783
  H      -3.125030     -0.547129      1.971696
  H     -10.219129     -5.729779      7.021336
  H     -10.428862     -5.345897      5.292677
  H     -10.759889     -6.990423      5.866943
  H      -8.494054     -7.361144      6.212019
  H      -7.860321     -5.134278      7.059310
  H      -6.736114     -5.957206      5.964643
  H      -7.023669     -3.542341      5.563706
  H      -8.719987     -3.754157      5.159828
  H      -8.769331     -6.041090      3.294993
  H      -9.373120     -4.425011      3.022130
  H      -9.268919     -5.313460      0.850912
  H      -7.715753     -6.103049      1.079763
  H      -7.914570     -3.753943     -0.276705
  H      -6.484902     -4.142632      0.686931
  H      -8.881285     -2.577854      1.773355
  H      -7.382960     -1.836762      1.212155
  H      -6.055053     -2.838182      2.908180
  H      -7.478627     -2.229874      3.744108
  H      -2.314726     -1.542718     10.260729
  H      -2.882490     -0.199553      9.243012
  H      -1.169200     -0.722967      9.168016
  H      -2.689417     -1.560635      7.332582
  H      -1.770807     -3.733079      9.075842
  H      -0.648947     -2.822577      8.062415
  H      -2.208179     -3.363111      6.069932
  H      -1.069370     -4.570132      6.643196
  H      -1.723779     -6.627693      7.602042
  H      -3.410563     -7.144458      7.522593
  H      -2.887744     -7.113725      9.796694
  H      -1.978953     -5.617404      9.732392
  H      -4.607601     -5.790994     10.639256
  H      -3.880229     -4.299874     10.033326
  H      -6.048549     -4.739310      8.890006
  H      -5.444617     -6.287357      8.299402
  H      -4.362572     -3.479072      7.704375
  H      -5.199419     -4.532687      6.563037
  N      -4.503693     -2.887021      4.802994
  N      -4.679156     -1.877402      5.327843
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.503993245075
  N      -3.108630     -3.980359      2.355679
  C      -2.970877     -4.985077      1.299632
  C      -2.729786     -6.345442      1.923652
  N      -3.740526     -6.596821      2.975117
  C      -5.023919     -7.094727      2.423256
  C      -6.147783     -6.635802      3.332306
  N      -6.049731     -5.178154      3.510596
  Mo     -4.176559     -4.607688      3.947223
  N      -3.294332     -5.559880      5.492793
  C      -2.418891     -6.642120      5.026109
  C      -3.201204     -7.483847      4.033664
  H      -2.097706     -7.304888      5.840815
  H      -1.489073     -6.259576      4.558754
  H      -4.051739     -7.942626      4.556722
  H      -2.589458     -8.287345      3.584386
  H      -7.103352     -6.942478      2.889566
  H      -6.085330     -7.171457      4.300099
  H      -5.162436     -6.644185      1.430096
  H      -4.995184     -8.193582      2.309420
  H      -2.112307     -4.780985      0.647634
  H      -3.862654     -5.019987      0.639536
  H      -1.743159     -6.338310      2.407843
  H      -2.746157     -7.157027      1.173113
  C       0.934230     -0.571558      2.735073
  N      -0.462595     -0.150823      2.758433
  C      -1.272503     -0.879853      3.739485
  C      -1.623620     -2.321679      3.361686
  C      -2.516320     -2.609563      2.120136
  C      -1.608805     -2.516342      0.864239
  C      -2.305668     -2.478653     -0.503505
  C      -3.436235     -1.448564     -0.542766
  C      -4.379782     -1.649189      0.641472
  C      -3.615481     -1.536527      1.958524
  C     -10.114858     -6.128951      5.962483
  N      -8.746201     -6.531038      5.655748
  C      -7.748430     -5.513295      6.002904
  C      -7.741027     -4.267796      5.116031
  C      -7.341705     -4.425159      3.624839
  C      -8.504726     -5.081533      2.843928
  C      -8.286610     -5.191862      1.326682
  C      -7.573907     -3.952596      0.752936
  C      -7.802955     -2.752698      1.668988
  C      -7.139809     -2.993284      3.029891
  C      -2.195707     -1.079067      9.247034
  N      -2.603925     -2.034112      8.229061
  C      -1.687973     -3.166053      8.115832
  C      -1.989262     -4.047311      6.897410
  C      -3.130041     -5.104578      6.919275
  C      -2.753934     -6.304471      7.826219
  C      -2.873959     -6.092836      9.347010
  C      -4.129180     -5.295105      9.755396
  C      -5.121353     -5.238971      8.596699
  C      -4.491504     -4.515802      7.405078
  H       1.410531     -0.583145      3.739112
  H       1.510351      0.100971      2.084701
  H       1.016870     -1.586504      2.318943
  H      -0.504716      0.845094      2.977172
  H      -0.760253     -0.926231      4.728206
  H      -2.200078     -0.311108      3.898915
  H      -0.705861     -2.926111      3.257574
  H      -2.148930     -2.738177      4.230135
  H      -0.843702     -3.309837      0.898481
  H      -1.066325     -1.566468      0.996131
  H      -1.554034     -2.249096     -1.276568
  H      -2.726284     -3.461466     -0.766788
  H      -3.980335     -1.520790     -1.498090
  H      -3.012994     -0.429388     -0.492293
  H      -5.188042     -0.901368      0.618078
  H      -4.865511     -2.637341      0.576043
  H      -4.304107     -1.569670      2.810059
  H      -3.127802     -0.547571      1.981621
  H     -10.243894     -5.740498      6.995970
  H     -10.441045     -5.339375      5.269709
  H     -10.789143     -6.986168      5.827479
  H      -8.528322     -7.379353      6.180924
  H      -7.879420     -5.165580      7.052108
  H      -6.757125     -5.987534      5.954485
  H      -7.024596     -3.566184      5.572130
  H      -8.721381     -3.763008      5.161672
  H      -8.771027     -6.048429      3.290062
  H      -9.376744     -4.431934      3.023829
  H      -9.272849     -5.310110      0.849109
  H      -7.719350     -6.100937      1.073516
  H      -7.917429     -3.746200     -0.272268
  H      -6.488792     -4.137947      0.691881
  H      -8.887252     -2.580443      1.784264
  H      -7.390794     -1.834099      1.224641
  H      -6.058707     -2.844132      2.913041
  H      -7.479226     -2.237542      3.754855
  H      -2.277491     -1.543031     10.243018
  H      -2.861934     -0.205511      9.227576
  H      -1.147644     -0.723227      9.134330
  H      -2.686588     -1.571905      7.319743
  H      -1.737299     -3.734571      9.057321
  H      -0.631303     -2.821586      8.028423
  H      -2.202038     -3.373522      6.054023
  H      -1.063899     -4.582176      6.624881
  H      -1.725775     -6.631639      7.611490
  H      -3.415928     -7.139148      7.541456
  H      -2.894571     -7.090967      9.812416
  H      -1.967294     -5.606836      9.735323
  H      -4.590499     -5.734785     10.652803
  H      -3.852349     -4.260781     10.018040
  H      -6.033729     -4.699707      8.895786
  H      -5.442884     -6.258912      8.321207
  H      -4.344991     -3.464872      7.689479
  H      -5.192633     -4.525491      6.562195
  N      -4.508027     -2.897546      4.812840
  N      -4.683153     -1.890410      5.342428
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.504028241835
  N      -3.098411     -3.985644      2.363897
  C      -2.959118     -4.989393      1.307120
  C      -2.728413     -6.352055      1.929551
  N      -3.744928     -6.599499      2.976372
  C      -5.028503     -7.089877      2.417872
  C      -6.154690     -6.628389      3.322420
  N      -6.050693     -5.171929      3.505669
  Mo     -4.175421     -4.610595      3.950432
  N      -3.294960     -5.567845      5.494558
  C      -2.428106     -6.658005      5.030828
  C      -3.214898     -7.491839      4.035158
  H      -2.117295     -7.324886      5.845993
  H      -1.492757     -6.284135      4.567550
  H      -4.070128     -7.944459      4.555866
  H      -2.608614     -8.299566      3.586154
  H      -7.109416     -6.928880      2.872840
  H      -6.101618     -7.167544      4.288837
  H      -5.160783     -6.636686      1.425064
  H      -5.004273     -8.188575      2.301577
  H      -2.096243     -4.788103      0.659515
  H      -3.847675     -5.018068      0.642337
  H      -1.743662     -6.351670      2.417605
  H      -2.746752     -7.161983      1.177403
  C       0.917565     -0.532494      2.734330
  N      -0.484694     -0.130199      2.754718
  C      -1.286054     -0.867226      3.737091
  C      -1.622127     -2.313316      3.361674
  C      -2.514791     -2.611919      2.122907
  C      -1.610064     -2.518570      0.864930
  C      -2.309614     -2.493097     -0.501491
  C      -3.446939     -1.470572     -0.544348
  C      -4.386802     -1.670457      0.643075
  C      -3.620709     -1.546537      1.958015
  C     -10.099308     -6.130744      5.961468
  N      -8.729586     -6.527377      5.652209
  C      -7.734926     -5.506766      6.000206
  C      -7.734579     -4.260186      5.115222
  C      -7.338992     -4.416035      3.623060
  C      -8.503996     -5.070438      2.843830
  C      -8.283884     -5.185535      1.327115
  C      -7.560374     -3.952794      0.752216
  C      -7.786774     -2.747343      1.661597
  C      -7.134793     -2.984474      3.028651
  C      -2.175825     -1.096410      9.257538
  N      -2.599485     -2.054645      8.248476
  C      -1.673414     -3.176196      8.111886
  C      -1.987465     -4.054677      6.895054
  C      -3.130822     -5.108917      6.920722
  C      -2.761694     -6.308198      7.832117
  C      -2.889285     -6.095656      9.352431
  C      -4.138804     -5.285609      9.753383
  C      -5.128332     -5.230653      8.592182
  C      -4.491775     -4.513638      7.400187
  H       1.393373     -0.533281      3.738744
  H       1.485450      0.144309      2.081011
  H       1.013708     -1.548341      2.323141
  H      -0.540566      0.865725      2.970602
  H      -0.771920     -0.906602      4.725053
  H      -2.219199     -0.307823      3.897109
  H      -0.697481     -2.907024      3.255382
  H      -2.139324     -2.735250      4.232140
  H      -0.839340     -3.306582      0.901600
  H      -1.074092     -1.564459      0.991636
  H      -1.561110     -2.263165     -1.277490
  H      -2.723955     -3.480323     -0.757742
  H      -3.992903     -1.552196     -1.497799
  H      -3.030217     -0.448470     -0.501190
  H      -5.199489     -0.927546      0.617529
  H      -4.866716     -2.661732      0.583035
  H      -4.307540     -1.579061      2.811054
  H      -3.138646     -0.554785      1.975183
  H     -10.228348     -5.744644      6.995820
  H     -10.429349     -5.341225      5.270486
  H     -10.770496     -6.990256      5.825916
  H      -8.508154     -7.375740      6.175605
  H      -7.865144     -5.161468      7.050411
  H      -6.741911     -5.977434      5.948446
  H      -7.019640     -3.556191      5.569940
  H      -8.716877     -3.759510      5.163427
  H      -8.773196     -6.035616      3.292221
  H      -9.373660     -4.417119      3.020852
  H      -9.270043     -5.297525      0.847883
  H      -7.722600     -6.099197      1.076669
  H      -7.897812     -3.748168     -0.275380
  H      -6.476384     -4.145748      0.696757
  H      -8.870736     -2.568184      1.769083
  H      -7.366517     -1.833297      1.215257
  H      -6.052801     -2.832151      2.922873
  H      -7.483547     -2.228896      3.749254
  H      -2.230225     -1.561174     10.255058
  H      -2.850005     -0.228792      9.254253
  H      -1.133772     -0.731749      9.119895
  H      -2.705597     -1.591687      7.342071
  H      -1.697811     -3.749362      9.051208
  H      -0.622833     -2.818899      8.004995
  H      -2.204315     -3.377907      6.055538
  H      -1.065378     -4.590707      6.613890
  H      -1.733751     -6.638775      7.622475
  H      -3.424845     -7.141214      7.545592
  H      -2.923084     -7.093887      9.817157
  H      -1.980510     -5.619349      9.747088
  H      -4.604184     -5.714549     10.653875
  H      -3.854100     -4.251184     10.006869
  H      -6.039872     -4.687425      8.886306
  H      -5.452240     -6.250591      8.319785
  H      -4.341933     -3.462935      7.683364
  H      -5.189522     -4.521772      6.554495
  N      -4.499082     -2.900149      4.819744
  N      -4.667044     -1.894548      5.354599
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.504100517388
  N      -3.091148     -3.991443      2.376343
  C      -2.940364     -4.995251      1.320756
  C      -2.723424     -6.359665      1.943704
  N      -3.751639     -6.603812      2.979782
  C      -5.031014     -7.088376      2.406870
  C      -6.165288     -6.628278      3.301212
  N      -6.059445     -5.173034      3.492326
  Mo     -4.184270     -4.616453      3.952777
  N      -3.304901     -5.575348      5.497766
  C      -2.447988     -6.676416      5.042561
  C      -3.236864     -7.501544      4.041387
  H      -2.153958     -7.347335      5.860667
  H      -1.503737     -6.314933      4.587552
  H      -4.099612     -7.945645      4.556974
  H      -2.635948     -8.314980      3.595565
  H      -7.115143     -6.923734      2.837791
  H      -6.127228     -7.172906      4.265239
  H      -5.152574     -6.631599      1.414302
  H      -5.008301     -8.186718      2.286865
  H      -2.067469     -4.796987      0.685360
  H      -3.819406     -5.018400      0.643098
  H      -1.743693     -6.365350      2.441705
  H      -2.738394     -7.168068      1.189995
  C       0.902476     -0.508038      2.747745
  N      -0.502864     -0.116501      2.757073
  C      -1.304350     -0.853098      3.739745
  C      -1.631385     -2.303054      3.371541
  C      -2.515687     -2.613690      2.130576
  C      -1.604961     -2.519644      0.876805
  C      -2.297341     -2.502969     -0.493152
  C      -3.437280     -1.483977     -0.546155
  C      -4.383559     -1.683176      0.636354
  C      -3.625960     -1.554322      1.955682
  C     -10.105920     -6.138428      5.946027
  N      -8.736589     -6.535711      5.635433
  C      -7.740605     -5.517361      5.986929
  C      -7.740726     -4.267383      5.106597
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  C      -7.566264     -3.949506      0.744993
  C      -7.791361     -2.744677      1.655429
  C      -7.143263     -2.984361      3.023976
  C      -2.119633     -1.123687      9.285006
  N      -2.579401     -2.077458      8.286975
  C      -1.641121     -3.180290      8.089492
  C      -1.993363     -4.047271      6.875259
  C      -3.134097     -5.103620      6.920145
  C      -2.757248     -6.295634      7.837782
  C      -2.879985     -6.076277      9.358106
  C      -4.118835     -5.250527      9.758425
  C      -5.120471     -5.212447      8.606738
  C      -4.494639     -4.508085      7.401397
  H       1.373359     -0.495666      3.754454
  H       1.468702      0.166493      2.090539
  H       1.008261     -1.527153      2.347075
  H      -0.568104      0.880394      2.965819
  H      -0.793579     -0.884591      4.729715
  H      -2.240751     -0.297396      3.893685
  H      -0.703073     -2.892729      3.274580
  H      -2.150987     -2.721665      4.241692
  H      -0.829636     -3.302805      0.920083
  H      -1.074871     -1.562246      1.003355
  H      -1.545848     -2.274544     -1.266686
  H      -2.707120     -3.492781     -0.745828
  H      -3.977924     -1.570547     -1.502172
  H      -3.023640     -0.460631     -0.504332
  H      -5.197503     -0.941957      0.604255
  H      -4.861240     -2.675267      0.574241
  H      -4.317318     -1.586686      2.805031
  H      -3.147833     -0.560684      1.973442
  H     -10.234376     -5.754908      6.981332
  H     -10.435302     -5.346831      5.257124
  H     -10.777936     -6.996939      5.808307
  H      -8.516339     -7.385922      6.156213
  H      -7.869461     -5.176213      7.038745
  H      -6.747984     -5.988701      5.931859
  H      -7.025635     -3.564942      5.563404
  H      -8.723137     -3.767210      5.156913
  H      -8.780804     -6.036782      3.279612
  H      -9.382522     -4.417420      3.013222
  H      -9.282389     -5.286096      0.837224
  H      -7.738250     -6.095852      1.060780
  H      -7.900297     -3.742015     -0.283163
  H      -6.482974     -4.146519      0.692148
  H      -8.875165     -2.563515      1.761035
  H      -7.368572     -1.831019      1.210676
  H      -6.061138     -2.829422      2.923015
  H      -7.495816     -2.231515      3.745532
  H      -2.118022     -1.599160     10.278886
  H      -2.805259     -0.265972      9.324589
  H      -1.090872     -0.742967      9.099443
  H      -2.734966     -1.604727      7.392681
  H      -1.609559     -3.766940      9.020140
  H      -0.603915     -2.801022      7.937705
  H      -2.234889     -3.362553      6.049655
  H      -1.079194     -4.578883      6.561762
  H      -1.729690     -6.625224      7.624680
  H      -3.419746     -7.131862      7.559453
  H      -2.926185     -7.072968      9.825336
  H      -1.965327     -5.610417      9.751272
  H      -4.574897     -5.657579     10.673604
  H      -3.823939     -4.212707      9.984357
  H      -6.030622     -4.667507      8.901799
  H      -5.444144     -6.236487      8.349806
  H      -4.346955     -3.454402      7.672804
  H      -5.197270     -4.527762      6.560000
  N      -4.507579     -2.905857      4.824380
  N      -4.671390     -1.902316      5.364356
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.504141463512
  N      -3.092955     -3.992942      2.388342
  C      -2.925270     -4.998637      1.336476
  C      -2.718942     -6.363058      1.962578
  N      -3.761018     -6.605718      2.985214
  C      -5.032476     -7.089891      2.394648
  C      -6.179010     -6.632828      3.273762
  N      -6.075703     -5.178138      3.469487
  Mo     -4.204041     -4.619833      3.952554
  N      -3.325674     -5.575626      5.502657
  C      -2.476807     -6.687764      5.060344
  C      -3.263006     -7.506224      4.052075
  H      -2.203258     -7.362031      5.883054
  H      -1.521903     -6.339711      4.617325
  H      -4.133675     -7.942755      4.560813
  H      -2.664945     -8.324813      3.612092
  H      -7.120829     -6.926895      2.793371
  H      -6.158657     -7.181514      4.235977
  H      -5.141128     -6.633060      1.400645
  H      -5.007045     -8.188104      2.274168
  H      -2.042675     -4.801946      0.713722
  H      -3.793775     -5.019966      0.645480
  H      -1.745776     -6.370853      2.473284
  H      -2.725410     -7.171152      1.208552
  C       0.885985     -0.493449      2.786323
  N      -0.520032     -0.105016      2.771775
  C      -1.334412     -0.836000      3.747830
  C      -1.653984     -2.289311      3.386944
  C      -2.522762     -2.612160      2.139489
  C      -1.599980     -2.518309      0.894640
  C      -2.278493     -2.510028     -0.482293
  C      -3.420093     -1.493901     -0.550700
  C      -4.379381     -1.693797      0.621416
  C      -3.637301     -1.559693      1.948916
  C     -10.113134     -6.155147      5.928316
  N      -8.742512     -6.548658      5.617712
  C      -7.749761     -5.526035      5.966661
  C      -7.756858     -4.276878      5.084937
  C      -7.363933     -4.426150      3.590844
  C      -8.529989     -5.080237      2.811090
  C      -8.313855     -5.188826      1.292376
  C      -7.580036     -3.959830      0.722993
  C      -7.806048     -2.753779      1.631208
  C      -7.164982     -2.991243      3.003666
  C      -2.001314     -1.179664      9.345587
  N      -2.523637     -2.112737      8.357753
  C      -1.582836     -3.190178      8.054681
  C      -2.005389     -4.028340      6.843716
  C      -3.142936     -5.085700      6.918870
  C      -2.753498     -6.267803      7.843735
  C      -2.867070     -6.039654      9.364482
  C      -4.090979     -5.194203      9.766874
  C      -5.110412     -5.176335      8.630186
  C      -4.501250     -4.489585      7.406191
  H       1.342874     -0.470420      3.799336
  H       1.460415      0.175117      2.130072
  H       0.998876     -1.516517      2.397663
  H      -0.591383      0.893267      2.971831
  H      -0.837958     -0.859588      4.745373
  H      -2.273678     -0.280747      3.884749
  H      -0.723376     -2.877915      3.307113
  H      -2.182455     -2.700501      4.254707
  H      -0.820834     -3.297026      0.948277
  H      -1.075267     -1.558103      1.022920
  H      -1.520145     -2.284191     -1.249783
  H      -2.683495     -3.502040     -0.732935
  H      -3.950129     -1.583395     -1.512293
  H      -3.008764     -0.469853     -0.506220
  H      -5.194906     -0.954927      0.578863
  H      -4.853795     -2.687002      0.553816
  H      -4.336901     -1.593020      2.791498
  H      -3.164893     -0.563461      1.969627
  H     -10.242014     -5.768428      6.962242
  H     -10.446034     -5.367252      5.236890
  H     -10.782106     -7.016574      5.794094
  H      -8.519270     -7.396608      6.140866
  H      -7.877773     -5.184610      7.018565
  H      -6.755309     -5.993562      5.909740
  H      -7.045061     -3.570570      5.540760
  H      -8.741652     -3.781472      5.135039
  H      -8.794305     -6.048116      3.256393
  H      -9.400826     -4.429680      2.991710
  H      -9.301433     -5.289654      0.813750
  H      -7.759845     -6.104896      1.034854
  H      -7.910265     -3.751988     -0.306349
  H      -6.497324     -4.160305      0.674051
  H      -8.889995     -2.570865      1.732072
  H      -7.380499     -1.841516      1.186221
  H      -6.083297     -2.828408      2.911396
  H      -7.528033     -2.241672      3.723385
  H      -1.917157     -1.682176     10.322332
  H      -2.693680     -0.334376      9.461834
  H      -0.995147     -0.778486      9.092340
  H      -2.748245     -1.614824      7.491924
  H      -1.467480     -3.803599      8.961436
  H      -0.568343     -2.783310      7.836314
  H      -2.289609     -3.325221      6.048439
  H      -1.109271     -4.551714      6.470081
  H      -1.726626     -6.595588      7.624312
  H      -3.414914     -7.108598      7.577321
  H      -2.928937     -7.034300      9.834710
  H      -1.944262     -5.587608      9.754366
  H      -4.532134     -5.573528     10.700866
  H      -3.782997     -4.153093      9.956921
  H      -6.017907     -4.628664      8.928100
  H      -5.434669     -6.205156      8.393197
  H      -4.357676     -3.431393      7.658591
  H      -5.212284     -4.526999      6.572587
  N      -4.536314     -2.908176      4.822753
  N      -4.699616     -1.906517      5.366292
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.504171867273
  N      -3.109344     -3.981173      2.369791
  C      -2.948674     -4.989827      1.320048
  C      -2.721249     -6.349267      1.949825
  N      -3.751473     -6.597951      2.982862
  C      -5.024434     -7.095006      2.406392
  C      -6.165637     -6.639497      3.293694
  N      -6.069511     -5.183039      3.477709
  Mo     -4.200647     -4.610803      3.946121
  N      -3.318635     -5.558358      5.499309
  C      -2.456685     -6.658650      5.052291
  C      -3.236440     -7.489080      4.049196
  H      -2.168565     -7.328300      5.874181
  H      -1.509012     -6.298082      4.603829
  H      -4.098761     -7.936409      4.562867
  H      -2.629811     -8.300748      3.608160
  H      -7.110328     -6.943196      2.825932
  H      -6.130090     -7.181112      4.259385
  H      -5.144585     -6.645367      1.410548
  H      -4.991989     -8.193720      2.292840
  H      -2.078075     -4.788062      0.682876
  H      -3.827788     -5.022974      0.643496
  H      -1.743514     -6.344243      2.451824
  H      -2.725543     -7.161152      1.199665
  C       0.907274     -0.543784      2.780437
  N      -0.490942     -0.128019      2.769127
  C      -1.318699     -0.848934      3.740861
  C      -1.656082     -2.296959      3.375494
  C      -2.527915     -2.605476      2.126860
  C      -1.606693     -2.512442      0.881357
  C      -2.287506     -2.490614     -0.494829
  C      -3.423394     -1.467612     -0.554471
  C      -4.382256     -1.671140      0.617368
  C      -3.637286     -1.546092      1.944100
  C     -10.112040     -6.148494      5.944164
  N      -8.741670     -6.544060      5.635369
  C      -7.748952     -5.519121      5.977221
  C      -7.755125     -4.275515      5.087456
  C      -7.360581     -4.432770      3.594581
  C      -8.524959     -5.092711      2.816596
  C      -8.308942     -5.205515      1.298196
  C      -7.585169     -3.973468      0.722632
  C      -7.813753     -2.767359      1.629948
  C      -7.165507     -3.000167      2.999818
  C      -2.031807     -1.170786      9.356707
  N      -2.527684     -2.089762      8.342628
  C      -1.600455     -3.189391      8.081301
  C      -1.999680     -4.024953      6.860736
  C      -3.140903     -5.079114      6.918690
  C      -2.758042     -6.269184      7.835827
  C      -2.875545     -6.050704      9.357543
  C      -4.106196     -5.216837      9.763993
  C      -5.116330     -5.181277      8.619848
  C      -4.498998     -4.484032      7.406205
  H       1.363671     -0.539874      3.793908
  H       1.494859      0.120189      2.131379
  H       1.000473     -1.564867      2.381266
  H      -0.543030      0.870257      2.975116
  H      -0.827865     -0.881456      4.741006
  H      -2.251504     -0.282244      3.874311
  H      -0.733655     -2.897850      3.294713
  H      -2.190899     -2.702896      4.242402
  H      -0.833859     -3.297640      0.929530
  H      -1.073651     -1.557074      1.012674
  H      -1.528789     -2.264517     -1.261763
  H      -2.699559     -3.478004     -0.752474
  H      -3.954397     -1.545926     -1.516416
  H      -3.005931     -0.446522     -0.501647
  H      -5.196095     -0.930148      0.580087
  H      -4.859112     -2.663005      0.546345
  H      -4.335204     -1.582297      2.787866
  H      -3.162066     -0.551349      1.968919
  H     -10.240405     -5.755370      6.975795
  H     -10.445013     -5.364796      5.248035
  H     -10.781298     -7.010526      5.815527
  H      -8.518199     -7.388818      6.163737
  H      -7.877178     -5.170705      7.026686
  H      -6.754444     -5.986807      5.924416
  H      -7.043561     -3.566696      5.539721
  H      -8.739590     -3.778969      5.134069
  H      -8.787079     -6.059769      3.264772
  H      -9.397887     -4.444386      2.995768
  H      -9.295846     -5.316650      0.820490
  H      -7.747996     -6.118354      1.045236
  H      -7.921611     -3.769536     -0.305469
  H      -6.501413     -4.167430      0.669129
  H      -8.898079     -2.588874      1.734600
  H      -7.393880     -1.853858      1.182241
  H      -6.084650     -2.836783      2.900155
  H      -7.525575     -2.248373      3.718814
  H      -2.002311     -1.679248     10.333644
  H      -2.711932     -0.312413      9.445127
  H      -1.007510     -0.788759      9.151772
  H      -2.701080     -1.585939      7.468705
  H      -1.535672     -3.800658      8.994841
  H      -0.568574     -2.808066      7.901616
  H      -2.268758     -3.321286      6.059924
  H      -1.098142     -4.550768      6.504020
  H      -1.730660     -6.597245      7.618827
  H      -3.419700     -7.106861      7.560371
  H      -2.930752     -7.048547      9.821810
  H      -1.956144     -5.594103      9.750773
  H      -4.554580     -5.615476     10.686438
  H      -3.804291     -4.178478      9.978144
  H      -6.024271     -4.634310      8.917956
  H      -5.442171     -6.206113      8.368210
  H      -4.355992     -3.427099      7.664433
  H      -5.206958     -4.515627      6.569755
  N      -4.542472     -2.897884      4.808760
  N      -4.714070     -1.892824      5.343172
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.504191089960
  N      -3.087292     -3.988358      2.379894
  C      -2.930098     -4.994784      1.327082
  C      -2.712282     -6.356894      1.953376
  N      -3.745543     -6.603314      2.983479
  C      -5.020830     -7.091004      2.404299
  C      -6.160068     -6.634365      3.294105
  N      -6.057321     -5.179567      3.485793
  Mo     -4.185137     -4.617867      3.951302
  N      -3.308788     -5.571569      5.501670
  C      -2.451359     -6.674151      5.053121
  C      -3.235579     -7.498937      4.048355
  H      -2.166234     -7.346402      5.873606
  H      -1.502012     -6.316827      4.605235
  H      -4.100604     -7.942405      4.560786
  H      -2.633120     -8.313221      3.606123
  H      -7.106528     -6.931309      2.825116
  H      -6.125868     -7.180388      4.257394
  H      -5.138811     -6.633792      1.411489
  H      -4.993772     -8.189206      2.283370
  H      -2.054780     -4.796674      0.695209
  H      -3.806069     -5.021427      0.645688
  H      -1.735488     -6.359168      2.457212
  H      -2.719711     -7.166330      1.200537
  C       0.897935     -0.514508      2.734776
  N      -0.503633     -0.110038      2.736434
  C      -1.314704     -0.831434      3.721864
  C      -1.645265     -2.284388      3.368828
  C      -2.522409     -2.607623      2.127211
  C      -1.609300     -2.513218      0.875831
  C      -2.298506     -2.507116     -0.496316
  C      -3.445413     -1.496317     -0.555408
  C      -4.394817     -1.701189      0.623725
  C      -3.642635     -1.560004      1.944751
  C     -10.116802     -6.122461      5.940999
  N      -8.750052     -6.530073      5.632389
  C      -7.747647     -5.516530      5.979471
  C      -7.739939     -4.268776      5.095370
  C      -7.345132     -4.423547      3.602304
  C      -8.511810     -5.075512      2.822025
  C      -8.297917     -5.182275      1.303222
  C      -7.569844     -3.950515      0.732879
  C      -7.793863     -2.747843      1.646042
  C      -7.140391     -2.990670      3.011377
  C      -2.082204     -1.182558      9.368863
  N      -2.559588     -2.103813      8.348586
  C      -1.617509     -3.189927      8.087320
  C      -2.004305     -4.029833      6.866051
  C      -3.137657     -5.092604      6.921576
  C      -2.751169     -6.278419      7.842870
  C      -2.878666     -6.060591      9.363995
  C      -4.112212     -5.227576      9.762508
  C      -5.119056     -5.201185      8.615452
  C      -4.501416     -4.504183      7.402013
  H       1.365675     -0.499311      3.742859
  H       1.472606      0.149573      2.074434
  H       0.994970     -1.537535      2.341864
  H      -0.561092      0.889072      2.936455
  H      -0.812514     -0.854093      4.716640
  H      -2.250316     -0.271061      3.862609
  H      -0.719360     -2.879623      3.285696
  H      -2.172222     -2.688677      4.241058
  H      -0.828437     -3.290343      0.924898
  H      -1.085631     -1.551400      0.997755
  H      -1.546590     -2.277457     -1.268954
  H      -2.701872     -3.500434     -0.746046
  H      -3.981544     -1.586419     -1.513611
  H      -3.038322     -0.470377     -0.511929
  H      -5.216093     -0.968313      0.586369
  H      -4.862810     -2.698225      0.563318
  H      -4.334644     -1.597321      2.793523
  H      -3.176482     -0.560656      1.959964
  H     -10.242973     -5.733331      6.974470
  H     -10.440663     -5.331905      5.248317
  H     -10.794572     -6.977034      5.806911
  H      -8.535561     -7.379800      6.156588
  H      -7.873560     -5.171231      7.030244
  H      -6.757746     -5.993646      5.925755
  H      -7.020558     -3.570086      5.551143
  H      -8.718962     -3.761726      5.143852
  H      -8.777297     -6.043356      3.266508
  H      -9.382636     -4.425357      3.005242
  H      -9.286159     -5.285653      0.826471
  H      -7.742384     -6.097099      1.044745
  H      -7.904676     -3.741551     -0.294680
  H      -6.486399     -4.147307      0.679554
  H      -8.877438     -2.567614      1.755869
  H      -7.373464     -1.832891      1.201877
  H      -6.058720     -2.838205      2.903729
  H      -7.487106     -2.237306      3.735332
  H      -2.050171     -1.695270     10.343490
  H      -2.774933     -0.334297      9.457691
  H      -1.062466     -0.784522      9.171392
  H      -2.739129     -1.600013      7.475866
  H      -1.544506     -3.801365      8.999819
  H      -0.590516     -2.794990      7.907934
  H      -2.274731     -3.329691      6.061859
  H      -1.097512     -4.550610      6.515254
  H      -1.720422     -6.599710      7.631324
  H      -3.405564     -7.121116      7.565079
  H      -2.936878     -7.058764      9.826926
  H      -1.962241     -5.604261      9.764267
  H      -4.562466     -5.623145     10.685456
  H      -3.813842     -4.187440      9.972706
  H      -6.030236     -4.657170      8.909315
  H      -5.439390     -6.228384      8.366059
  H      -4.364289     -3.446077      7.659180
  H      -5.206571     -4.541752      6.563001
  N      -4.515841     -2.906080      4.817613
  N      -4.682503     -1.900897      5.353532
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.504226752391
  N      -3.096763     -3.983348      2.376733
  C      -2.939154     -4.990984      1.325058
  C      -2.718131     -6.352040      1.952908
  N      -3.751105     -6.598754      2.983538
  C      -5.025036     -7.090953      2.404882
  C      -6.165948     -6.633546      3.292287
  N      -6.066043     -5.177924      3.479602
  Mo     -4.195171     -4.611788      3.948053
  N      -3.316938     -5.562063      5.500668
  C      -2.457355     -6.663794      5.053557
  C      -3.239439     -7.491681      4.049875
  H      -2.171133     -7.334614      5.874787
  H      -1.508627     -6.305488      4.605145
  H      -4.103522     -7.936612      4.562641
  H      -2.634844     -8.305148      3.609087
  H      -7.111788     -6.933866      2.824109
  H      -6.131568     -7.176647      4.257234
  H      -5.142873     -6.637762      1.410228
  H      -4.995589     -8.189484      2.288035
  H      -2.066007     -4.791928      0.690355
  H      -3.816774     -5.020087      0.646087
  H      -1.741115     -6.351743      2.456398
  H      -2.724189     -7.162456      1.201131
  C       0.901246     -0.520125      2.745572
  N      -0.499728     -0.113644      2.742508
  C      -1.315364     -0.834397      3.724859
  C      -1.647201     -2.286419      3.368690
  C      -2.524742     -2.605114      2.126095
  C      -1.608819     -2.514332      0.876335
  C      -2.294795     -2.503725     -0.497310
  C      -3.437337     -1.488068     -0.558010
  C      -4.389757     -1.689690      0.619231
  C      -3.639604     -1.552026      1.941825
  C     -10.105524     -6.145825      5.942500
  N      -8.735135     -6.539680      5.631853
  C      -7.742632     -5.515404      5.975878
  C      -7.749401     -4.269959      5.089276
  C      -7.355692     -4.425856      3.596172
  C      -8.521203     -5.083170      2.818769
  C      -8.304766     -5.198690      1.300934
  C      -7.572084     -3.972262      0.725268
  C      -7.798534     -2.762534      1.628585
  C      -7.156860     -2.994091      3.001785
  C      -2.040408     -1.209171      9.401579
  N      -2.537840     -2.118279      8.379491
  C      -1.598055     -3.198317      8.085330
  C      -2.005145     -4.023369      6.861087
  C      -3.142612     -5.080686      6.920139
  C      -2.760696     -6.266557      7.843538
  C      -2.889326     -6.047925      9.364604
  C      -4.118150     -5.207570      9.761634
  C      -5.124288     -5.177496      8.614221
  C      -4.502679     -4.484241      7.400778
  H       1.365182     -0.506395      3.755492
  H       1.479397      0.143603      2.087877
  H       0.998359     -1.543047      2.352387
  H      -0.556482      0.885446      2.942945
  H      -0.816115     -0.858456      4.720956
  H      -2.250292     -0.272213      3.862947
  H      -0.720966     -2.880969      3.282343
  H      -2.172305     -2.693901      4.240863
  H      -0.832211     -3.295727      0.926125
  H      -1.080419     -1.555422      1.000336
  H      -1.540047     -2.276263     -1.267883
  H      -2.701394     -3.495275     -0.749154
  H      -3.971937     -1.575350     -1.517334
  H      -3.026169     -0.463798     -0.513039
  H      -5.208119     -0.953623      0.580521
  H      -4.861270     -2.684695      0.557312
  H      -4.333352     -1.586109      2.789273
  H      -3.168874     -0.554855      1.957767
  H     -10.233693     -5.756622      6.975719
  H     -10.439118     -5.359720      5.249391
  H     -10.774437     -7.007723      5.811003
  H      -8.511016     -7.386212      6.157118
  H      -7.870262     -5.169496      7.026197
  H      -6.748014     -5.982653      5.921067
  H      -7.036539     -3.562573      5.541708
  H      -8.733672     -3.773241      5.138026
  H      -8.786194     -6.048997      3.268154
  H      -9.392223     -4.431991      2.997047
  H      -9.292382     -5.302336      0.822911
  H      -7.750980     -6.116282      1.048526
  H      -7.903259     -3.769537     -0.304711
  H      -6.489132     -4.171801      0.676505
  H      -8.882532     -2.579374      1.728994
  H      -7.373326     -1.851913      1.180104
  H      -6.075542     -2.831071      2.907728
  H      -7.520918     -2.241713      3.718244
  H      -1.987990     -1.734169     10.368804
  H      -2.731829     -0.362832      9.515615
  H      -1.025221     -0.807777      9.187930
  H      -2.731619     -1.602639      7.516867
  H      -1.504099     -3.821677      8.987928
  H      -0.576232     -2.797196      7.890410
  H      -2.280682     -3.313580      6.067163
  H      -1.105370     -4.545664      6.494602
  H      -1.730940     -6.591418      7.633162
  H      -3.417654     -7.107073      7.565520
  H      -2.954009     -7.045782      9.827463
  H      -1.971048     -5.596869      9.766406
  H      -4.570973     -5.599755     10.684894
  H      -3.814078     -4.168827      9.970445
  H      -6.033226     -4.629328      8.907168
  H      -5.449217     -6.203220      8.364921
  H      -4.359372     -3.427010      7.658290
  H      -5.207627     -4.516996      6.561562
  N      -4.529187     -2.898839      4.811865
  N      -4.696114     -1.893646      5.347750
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.504238572108
  N      -3.102976     -3.979814      2.374299
  C      -2.943050     -4.989397      1.324484
  C      -2.717294     -6.348721      1.954635
  N      -3.750138     -6.597187      2.985130
  C      -5.022488     -7.093482      2.406239
  C      -6.164906     -6.637284      3.292417
  N      -6.067707     -5.181172      3.478406
  Mo     -4.198742     -4.609866      3.946788
  N      -3.321017     -5.556916      5.502066
  C      -2.458147     -6.656837      5.056345
  C      -3.236871     -7.487788      4.052715
  H      -2.170748     -7.326351      5.878418
  H      -1.509854     -6.296785      4.608456
  H      -4.100091     -7.934864      4.565077
  H      -2.629528     -8.299886      3.613246
  H      -7.109707     -6.939846      2.823984
  H      -6.129825     -7.179607      4.257780
  H      -5.140638     -6.642091      1.410864
  H      -4.990194     -8.192066      2.291138
  H      -2.071493     -4.788947      0.688283
  H      -3.821398     -5.022708      0.646837
  H      -1.740621     -6.344221      2.458712
  H      -2.719959     -7.160436      1.204197
  C       0.903041     -0.532172      2.758286
  N      -0.495164     -0.116304      2.746931
  C      -1.321218     -0.830791      3.724944
  C      -1.657639     -2.282496      3.370940
  C      -2.529738     -2.602008      2.124668
  C      -1.610532     -2.511092      0.877348
  C      -2.293024     -2.500362     -0.498166
  C      -3.435461     -1.484871     -0.561308
  C      -4.391334     -1.688031      0.612841
  C      -3.645157     -1.550021      1.937666
  C     -10.110209     -6.148448      5.939202
  N      -8.738950     -6.541662      5.631681
  C      -7.748153     -5.515378      5.974327
  C      -7.754717     -4.271998      5.084671
  C      -7.358759     -4.430364      3.592299
  C      -8.522644     -5.090056      2.814274
  C      -8.305290     -5.206125      1.296553
  C      -7.574747     -3.978703      0.720315
  C      -7.803878     -2.769111      1.623140
  C      -7.160572     -2.999248      2.995797
  C      -2.011625     -1.224697      9.420309
  N      -2.517962     -2.119929      8.390278
  C      -1.583642     -3.199751      8.078662
  C      -2.006384     -4.016719      6.854594
  C      -3.143916     -5.073523      6.920150
  C      -2.760589     -6.258923      7.843670
  C      -2.891130     -6.043386      9.365315
  C      -4.117197     -5.199563      9.763075
  C      -5.124273     -5.167504      8.616665
  C      -4.503120     -4.476083      7.401961
  H       1.360859     -0.522243      3.771059
  H       1.489565      0.128243      2.104689
  H       0.995722     -1.555433      2.364838
  H      -0.546231      0.883323      2.946477
  H      -0.829606     -0.854586      4.724840
  H      -2.254492     -0.263890      3.854683
  H      -0.734098     -2.882135      3.292572
  H      -2.190304     -2.683901      4.241491
  H      -0.833888     -3.292264      0.929071
  H      -1.082555     -1.552195      1.002253
  H      -1.536322     -2.272733     -1.266707
  H      -2.699132     -3.491607     -0.751446
  H      -3.966901     -1.570819     -1.522417
  H      -3.024538     -0.460730     -0.513537
  H      -5.210420     -0.952947      0.571952
  H      -4.861584     -2.683592      0.549312
  H      -4.341041     -1.585749      2.783238
  H      -3.176091     -0.552128      1.955550
  H     -10.240295     -5.756334      6.971071
  H     -10.443655     -5.364733      5.243298
  H     -10.778000     -7.011433      5.809242
  H      -8.514638     -7.386482      6.159586
  H      -7.877620     -5.166969      7.023628
  H      -6.752887     -5.981572      5.922266
  H      -7.042854     -3.563252      5.536635
  H      -8.739240     -3.775579      5.131094
  H      -8.786590     -6.055981      3.264031
  H      -9.394906     -4.440342      2.991811
  H      -9.292474     -5.311886      0.818090
  H      -7.749755     -6.122915      1.045216
  H      -7.905794     -3.777271     -0.309985
  H      -6.491274     -4.175969      0.672442
  H      -8.888199     -2.588237      1.724048
  H      -7.380754     -1.857698      1.174312
  H      -6.079312     -2.836532      2.899429
  H      -7.523429     -2.245987      3.711958
  H      -1.956356     -1.761608     10.380785
  H      -2.699059     -0.377121      9.547915
  H      -0.996035     -0.824693      9.206359
  H      -2.712227     -1.593322      7.534382
  H      -1.479975     -3.829034      8.975991
  H      -0.563274     -2.799362      7.874503
  H      -2.290525     -3.302385      6.067857
  H      -1.111421     -4.538015      6.475094
  H      -1.730257     -6.582265      7.633566
  H      -3.415905     -7.100223      7.564083
  H      -2.961019     -7.042406      9.825020
  H      -1.971909     -5.597362      9.770594
  H      -4.570027     -5.590419     10.686873
  H      -3.810296     -4.161574      9.970950
  H      -6.031894     -4.617477      8.910334
  H      -5.451520     -6.192526      8.367372
  H      -4.359950     -3.418386      7.656789
  H      -5.209083     -4.510893      6.563721
  N      -4.538922     -2.896450      4.807563
  N      -4.709220     -1.890263      5.340398
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.504250655346
  N      -3.105512     -3.976168      2.368654
  C      -2.950035     -4.986601      1.319113
  C      -2.718690     -6.344647      1.950077
  N      -3.747120     -6.594001      2.984744
  C      -5.020558     -7.094053      2.411457
  C      -6.160481     -6.636909      3.300546
  N      -6.064848     -5.180167      3.481909
  Mo     -4.196161     -4.605531      3.944554
  N      -3.318030     -5.550110      5.500789
  C      -2.450336     -6.645534      5.053254
  C      -3.227521     -7.481191      4.052240
  H      -2.156491     -7.312723      5.874965
  H      -1.505400     -6.280625      4.602158
  H      -4.087662     -7.931722      4.566761
  H      -2.617407     -8.291054      3.612413
  H      -7.106951     -6.942388      2.837459
  H      -6.119792     -7.175880      4.267609
  H      -5.142858     -6.645239      1.415414
  H      -4.986824     -8.192855      2.299079
  H      -2.082439     -4.785324      0.677885
  H      -3.832194     -5.022479      0.646543
  H      -1.740167     -6.337097      2.450526
  H      -2.722225     -7.157473      1.200809
  C       0.911676     -0.544364      2.743367
  N      -0.484659     -0.122027      2.737260
  C      -1.310699     -0.833993      3.717168
  C      -1.652829     -2.284437      3.363238
  C      -2.529299     -2.600176      2.118809
  C      -1.613331     -2.511458      0.868984
  C      -2.299652     -2.498386     -0.504648
  C      -3.440541     -1.480912     -0.564081
  C      -4.393180     -1.682514      0.612884
  C      -3.642683     -1.545422      1.935384
  C     -10.109265     -6.144513      5.944648
  N      -8.738061     -6.537810      5.637195
  C      -7.747367     -5.511000      5.978143
  C      -7.753534     -4.269260      5.086268
  C      -7.356962     -4.430362      3.594340
  C      -8.519894     -5.092880      2.817568
  C      -8.301884     -5.212703      1.300265
  C      -7.571452     -3.986588      0.721307
  C      -7.802573     -2.774732      1.620529
  C      -7.160612     -3.000350      2.994676
  C      -2.028459     -1.239142      9.448329
  N      -2.527018     -2.123655      8.405295
  C      -1.589116     -3.198516      8.087670
  C      -2.008625     -4.009265      6.858344
  C      -3.143645     -5.068902      6.919654
  C      -2.759405     -6.254863      7.842133
  C      -2.896980     -6.044704      9.363979
  C      -4.126298     -5.204810      9.759751
  C      -5.128985     -5.170883      8.609753
  C      -4.504965     -4.474603      7.399339
  H       1.372358     -0.539278      3.754857
  H       1.499251      0.115367      2.090037
  H       0.998674     -1.566856      2.346743
  H      -0.530179      0.877516      2.938445
  H      -0.816630     -0.859703      4.715782
  H      -2.241624     -0.263737      3.849242
  H      -0.731255     -2.886638      3.281023
  H      -2.183792     -2.685466      4.235075
  H      -0.838971     -3.295091      0.918344
  H      -1.082316     -1.554074      0.992633
  H      -1.544507     -2.271248     -1.274902
  H      -2.708148     -3.488693     -0.758105
  H      -3.974806     -1.565647     -1.523766
  H      -3.027903     -0.457357     -0.517131
  H      -5.211523     -0.946461      0.574187
  H      -4.864742     -2.677653      0.551631
  H      -4.336232     -1.579878      2.782895
  H      -3.171521     -0.548460      1.951748
  H     -10.239144     -5.751513      6.976239
  H     -10.442993     -5.361459      5.248134
  H     -10.776968     -7.007729      5.815711
  H      -8.513369     -7.382008      6.165945
  H      -7.877284     -5.160625      7.026729
  H      -6.752136     -5.977279      5.927358
  H      -7.041905     -3.559551      5.537141
  H      -8.738152     -3.772908      5.131604
  H      -8.783307     -6.057922      3.269595
  H      -9.392575     -4.443236      2.993384
  H      -9.288958     -5.319644      0.821790
  H      -7.746437     -6.130223      1.051424
  H      -7.901644     -3.788347     -0.309888
  H      -6.487760     -4.183097      0.675044
  H      -8.887198     -2.594590      1.719634
  H      -7.379673     -1.864180      1.169785
  H      -6.079624     -2.835740      2.899612
  H      -7.526473     -2.246129      3.708316
  H      -1.977853     -1.787217     10.402725
  H      -2.718192     -0.394316      9.581720
  H      -1.012385     -0.834722      9.245192
  H      -2.716037     -1.588042      7.553818
  H      -1.484401     -3.833517      8.980852
  H      -0.569603     -2.794013      7.887094
  H      -2.293267     -3.291665      6.074616
  H      -1.112312     -4.527372      6.477566
  H      -1.726932     -6.573582      7.635291
  H      -3.410209     -7.097880      7.557151
  H      -2.966736     -7.045462      9.819792
  H      -1.980478     -5.598244      9.775010
  H      -4.582419     -5.600630     10.679896
  H      -3.822568     -4.167135      9.973454
  H      -6.038586     -4.623356      8.902072
  H      -5.453767     -6.195590      8.355842
  H      -4.363583     -3.417580      7.658138
  H      -5.208555     -4.507528      6.558974
  N      -4.537158     -2.891490      4.802863
  N      -4.708482     -1.884055      5.332975
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.504261307872
  N      -3.110254     -3.971268      2.359235
  C      -2.960321     -4.983418      1.310729
  C      -2.720160     -6.339071      1.943799
  N      -3.742477     -6.589309      2.984302
  C      -5.017133     -7.094760      2.418238
  C      -6.154055     -6.636256      3.310591
  N      -6.060883     -5.178487      3.486254
  Mo     -4.192865     -4.598744      3.940827
  N      -3.315521     -5.539563      5.499275
  C      -2.440178     -6.628394      5.049683
  C      -3.214185     -7.471435      4.052130
  H      -2.136657     -7.291548      5.871171
  H      -1.500346     -6.255887      4.594104
  H      -4.070091     -7.927053      4.569225
  H      -2.599601     -8.277862      3.612216
  H      -7.102528     -6.945571      2.854237
  H      -6.106108     -7.170738      4.279902
  H      -5.144858     -6.649785      1.421153
  H      -4.981487     -8.193878      2.309991
  H      -2.098465     -4.780723      0.662530
  H      -3.847725     -5.024009      0.645313
  H      -1.739163     -6.326207      2.439281
  H      -2.724498     -7.154017      1.196813
  C       0.925970     -0.568204      2.721384
  N      -0.466737     -0.133763      2.723186
  C      -1.293962     -0.840352      3.706079
  C      -1.647003     -2.288306      3.352879
  C      -2.529173     -2.597855      2.110409
  C      -1.618072     -2.510696      0.857101
  C      -2.310385     -2.493769     -0.513536
  C      -3.449206     -1.473603     -0.566944
  C      -4.396747     -1.673381      0.614363
  C      -3.639577     -1.538903      1.933336
  C     -10.105087     -6.150739      5.948209
  N      -8.732673     -6.540108      5.641496
  C      -7.745097     -5.510390      5.982385
  C      -7.753326     -4.269516      5.089243
  C      -7.355146     -4.431261      3.597893
  C      -8.515354     -5.098039      2.821109
  C      -8.295102     -5.219912      1.304332
  C      -7.567178     -3.992778      0.724393
  C      -7.804250     -2.780179      1.621055
  C      -7.162692     -3.001477      2.996170
  C      -2.045461     -1.263623      9.489999
  N      -2.534943     -2.129272      8.426983
  C      -1.593749     -3.197828      8.098253
  C      -2.012136     -3.998807      6.862088
  C      -3.145383     -5.060291      6.918872
  C      -2.762348     -6.246123      7.842217
  C      -2.910486     -6.041037      9.363902
  C      -4.141104     -5.200827      9.754276
  C      -5.138212     -5.165708      8.599661
  C      -4.508876     -4.466946      7.393457
  H       1.390955     -0.571201      3.730891
  H       1.516212      0.089510      2.068461
  H       1.002667     -1.589620      2.319992
  H      -0.502094      0.865682      2.926820
  H      -0.796164     -0.869679      4.702753
  H      -2.220309     -0.263414      3.841445
  H      -0.729681     -2.896505      3.267086
  H      -2.177918     -2.686690      4.226138
  H      -0.846395     -3.297250      0.902274
  H      -1.083376     -1.555248      0.979821
  H      -1.557878     -2.266871     -1.286471
  H      -2.722229     -3.482672     -0.767336
  H      -3.987887     -1.556639     -1.524335
  H      -3.034299     -0.450857     -0.521321
  H      -5.213695     -0.935558      0.579671
  H      -4.870595     -2.667722      0.555889
  H      -4.329842     -1.572184      2.783514
  H      -3.165014     -0.543498      1.948504
  H     -10.236586     -5.758183      6.979800
  H     -10.440693     -5.368551      5.251616
  H     -10.770291     -7.015848      5.818970
  H      -8.505670     -7.383612      6.170373
  H      -7.877360     -5.159205      7.030398
  H      -6.748627     -5.974126      5.933497
  H      -7.043806     -3.557600      5.539990
  H      -8.739132     -3.775432      5.133514
  H      -8.777113     -6.062940      3.274380
  H      -9.389647     -4.450062      2.995093
  H      -9.281490     -5.329613      0.825022
  H      -7.737601     -6.136809      1.057627
  H      -7.895707     -3.797771     -0.307966
  H      -6.482629     -4.185537      0.681048
  H      -8.889714     -2.604073      1.718431
  H      -7.383959     -1.868756      1.169621
  H      -6.082141     -2.834204      2.901474
  H      -7.531516     -2.247092      3.708081
  H      -2.002761     -1.829527     10.434307
  H      -2.736452     -0.421449      9.633288
  H      -1.027887     -0.855134      9.303211
  H      -2.715490     -1.578579      7.583240
  H      -1.486486     -3.841216      8.985054
  H      -0.575440     -2.788642      7.900773
  H      -2.297264     -3.276062      6.083061
  H      -1.115438     -4.514154      6.478375
  H      -1.727327     -6.560470      7.640967
  H      -3.407966     -7.090878      7.550599
  H      -2.984905     -7.043313      9.815530
  H      -1.996464     -5.597420      9.783578
  H      -4.602459     -5.598076     10.671266
  H      -3.837895     -4.163744      9.971066
  H      -6.049365     -4.619043      8.888863
  H      -5.461588     -6.190064      8.342495
  H      -4.367997     -3.410611      7.655845
  H      -5.208972     -4.497794      6.550066
  N      -4.536496     -2.883790      4.795263
  N      -4.710053     -1.874461      5.320985
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.504268960498
  N      -3.116684     -3.967240      2.349927
  C      -2.971729     -4.980473      1.302230
  C      -2.722823     -6.333918      1.936980
  N      -3.738761     -6.585044      2.983483
  C      -5.014538     -7.095642      2.424516
  C      -6.148779     -6.636395      3.319785
  N      -6.058367     -5.177583      3.490305
  Mo     -4.190844     -4.592789      3.937623
  N      -3.311921     -5.530154      5.497041
  C      -2.430442     -6.613501      5.045329
  C      -3.202180     -7.462756      4.051127
  H      -2.118533     -7.273219      5.866474
  H      -1.495233     -6.234523      4.585639
  H      -4.053983     -7.922758      4.571123
  H      -2.584135     -8.266113      3.610511
  H      -7.098627     -6.949483      2.869048
  H      -6.094808     -7.167051      4.290902
  H      -5.147510     -6.654807      1.426311
  H      -4.976980     -8.195071      2.320425
  H      -2.115477     -4.775984      0.647356
  H      -3.864116     -5.025261      0.643809
  H      -1.739227     -6.316089      2.427162
  H      -2.728458     -7.150786      1.192095
  C       0.939815     -0.591640      2.707441
  N      -0.449806     -0.147372      2.716788
  C      -1.277846     -0.851680      3.700756
  C      -1.640334     -2.296408      3.344654
  C      -2.528376     -2.597008      2.103851
  C      -1.621391     -2.511722      0.847674
  C      -2.318902     -2.488768     -0.520263
  C      -3.453574     -1.463625     -0.567736
  C      -4.397010     -1.660483      0.617355
  C      -3.633677     -1.531595      1.933303
  C     -10.105784     -6.150743      5.951989
  N      -8.732783     -6.539448      5.647143
  C      -7.746345     -5.508611      5.987875
  C      -7.754121     -4.269209      5.092632
  C      -7.354457     -4.432567      3.601913
  C      -8.512744     -5.102623      2.825032
  C      -8.289382     -5.227651      1.308936
  C      -7.562586     -4.000434      0.727681
  C      -7.804492     -2.786388      1.621053
  C      -7.165618     -3.003128      2.998274
  C      -2.066533     -1.273338      9.515514
  N      -2.548986     -2.129509      8.441495
  C      -1.601568     -3.190144      8.104476
  C      -2.017019     -3.986436      6.864204
  C      -3.145428     -5.053154      6.917487
  C      -2.758868     -6.239100      7.839560
  C      -2.914899     -6.040357      9.361383
  C      -4.149366     -5.204832      9.749268
  C      -5.142888     -5.171015      8.591498
  C      -4.512354     -4.466153      7.389420
  H       1.408586     -0.603077      3.715129
  H       1.532129      0.065358      2.055683
  H       1.007785     -1.611453      2.300486
  H      -0.477087      0.851488      2.924457
  H      -0.776623     -0.886681      4.695540
  H      -2.200210     -0.269441      3.840586
  H      -0.726788     -2.909544      3.253643
  H      -2.170296     -2.694651      4.218718
  H      -0.853608     -3.302369      0.888297
  H      -1.081466     -1.559254      0.970754
  H      -1.568310     -2.263451     -1.295534
  H      -2.735901     -3.475394     -0.774666
  H      -3.996552     -1.543599     -1.522978
  H      -3.034237     -0.442632     -0.523034
  H      -5.210728     -0.918900      0.587130
  H      -4.875431     -2.652719      0.560099
  H      -4.321310     -1.562798      2.785595
  H      -3.153579     -0.538831      1.948375
  H     -10.238644     -5.757215      6.983042
  H     -10.441217     -5.369486      5.254276
  H     -10.770247     -7.016459      5.822984
  H      -8.505617     -7.382161      6.177206
  H      -7.880749     -5.155736      7.035036
  H      -6.749603     -5.971886      5.941665
  H      -7.046106     -3.555675      5.543216
  H      -8.740474     -3.776037      5.135051
  H      -8.774361     -6.066759      3.279942
  H      -9.387879     -4.454983      2.996003
  H      -9.274729     -5.340012      0.828085
  H      -7.729928     -6.144201      1.065419
  H      -7.889155     -3.808602     -0.305905
  H      -6.477525     -4.190844      0.687376
  H      -8.890622     -2.612625      1.715220
  H      -7.385046     -1.875008      1.168692
  H      -6.085405     -2.832421      2.906575
  H      -7.539445     -2.248964      3.707756
  H      -2.024474     -1.849585     10.453569
  H      -2.761625     -0.435778      9.665906
  H      -1.050180     -0.858331      9.336636
  H      -2.727981     -1.570319      7.602962
  H      -1.489370     -3.838280      8.987141
  H      -0.586075     -2.773600      7.908165
  H      -2.305540     -3.261157      6.088725
  H      -1.118182     -4.496196      6.478006
  H      -1.721062     -6.546415      7.641678
  H      -3.397823     -7.086880      7.542093
  H      -2.988951     -7.044553      9.808792
  H      -2.004148     -5.596158      9.787498
  H      -4.612543     -5.605376     10.663924
  H      -3.849961     -4.167220      9.968671
  H      -6.057391     -4.629190      8.879205
  H      -5.460981     -6.196134      8.330787
  H      -4.375789     -3.410299      7.656167
  H      -5.209672     -4.496497      6.543710
  N      -4.537130     -2.877619      4.790317
  N      -4.712247     -1.867541      5.314117
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.504283425879
  N      -3.133112     -3.959662      2.328072
  C      -2.997733     -4.975732      1.282970
  C      -2.729326     -6.323700      1.922456
  N      -3.732084     -6.575992      2.981269
  C      -5.009711     -7.097392      2.436403
  C      -6.138986     -6.636756      3.336743
  N      -6.054569     -5.175803      3.496789
  Mo     -4.188565     -4.579729      3.929557
  N      -3.307039     -5.509167      5.491854
  C      -2.413418     -6.582158      5.036980
  C      -3.179471     -7.444257      4.049156
  H      -2.085371     -7.234352      5.857954
  H      -1.487281     -6.190542      4.569688
  H      -4.023246     -7.912815      4.574623
  H      -2.554270     -8.241487      3.607684
  H      -7.091079     -6.957430      2.896391
  H      -6.073771     -7.159671      4.311389
  H      -5.152967     -6.665831      1.435693
  H      -4.968139     -8.197457      2.341477
  H      -2.153580     -4.767385      0.614231
  H      -3.900311     -5.030596      0.639518
  H      -1.740616     -6.294191      2.401711
  H      -2.736980     -7.145466      1.182931
  C       0.971641     -0.649666      2.686245
  N      -0.410480     -0.183004      2.712618
  C      -1.241421     -0.884604      3.696266
  C      -1.625799     -2.320594      3.329512
  C      -2.526042     -2.597339      2.091294
  C      -1.628051     -2.513876      0.829173
  C      -2.337170     -2.474832     -0.532473
  C      -3.461500     -1.437611     -0.565040
  C      -4.395761     -1.629180      0.628254
  C      -3.618677     -1.516387      1.937523
  C     -10.105547     -6.165659      5.953534
  N      -8.730108     -6.548761      5.652684
  C      -7.748977     -5.513757      5.996309
  C      -7.758628     -4.275090      5.099815
  C      -7.355083     -4.436817      3.610235
  C      -8.507385     -5.114336      2.830624
  C      -8.276124     -5.240660      1.315723
  C      -7.556529     -4.008570      0.735304
  C      -7.812013     -2.795501      1.626136
  C      -7.176746     -3.005974      3.006163
  C      -2.102933     -1.284877      9.556486
  N      -2.574516     -2.124990      8.464736
  C      -1.616524     -3.171776      8.113080
  C      -2.027806     -3.960059      6.866201
  C      -3.147519     -5.035803      6.913675
  C      -2.754345     -6.220996      7.834554
  C      -2.922795     -6.030971      9.356368
  C      -4.162060     -5.200630      9.739129
  C      -5.151421     -5.172749      8.577448
  C      -4.520422     -4.459986      7.380194
  H       1.448037     -0.682490      3.689856
  H       1.569391      0.006581      2.038735
  H       1.019594     -1.664732      2.264845
  H      -0.419600      0.813699      2.931905
  H      -0.733693     -0.935766      4.687088
  H      -2.154640     -0.290825      3.847067
  H      -0.721753     -2.945825      3.227011
  H      -2.155376     -2.719354      4.204039
  H      -0.868943     -3.313426      0.858125
  H      -1.076393     -1.568487      0.954810
  H      -1.590968     -2.252895     -1.312926
  H      -2.766740     -3.455538     -0.789053
  H      -4.014271     -1.508858     -1.515342
  H      -3.031211     -0.421184     -0.521155
  H      -5.201104     -0.878137      0.609754
  H      -4.885686     -2.615905      0.571737
  H      -4.300593     -1.544288      2.794326
  H      -3.125287     -0.530175      1.954524
  H     -10.242978     -5.772528      6.984144
  H     -10.442177     -5.385814      5.254829
  H     -10.766123     -7.034081      5.822755
  H      -8.500887     -7.390398      6.183562
  H      -7.889349     -5.160421      7.042512
  H      -6.750419     -5.973403      5.955212
  H      -7.055806     -3.557571      5.552275
  H      -8.747272     -3.786257      5.139191
  H      -8.766725     -6.078847      3.285872
  H      -9.386030     -4.470183      2.996570
  H      -9.258453     -5.361536      0.830765
  H      -7.708378     -6.153270      1.076796
  H      -7.880163     -3.821034     -0.300017
  H      -6.469738     -4.190005      0.700283
  H      -8.899944     -2.630383      1.715035
  H      -7.397602     -1.881288      1.174711
  H      -6.097647     -2.826401      2.919487
  H      -7.560882     -2.254994      3.713395
  H      -2.060777     -1.878206     10.483819
  H      -2.805140     -0.455569      9.719162
  H      -1.089113     -0.858759      9.390001
  H      -2.752224     -1.551590      7.635431
  H      -1.495835     -3.827619      8.988897
  H      -0.606115     -2.742664      7.918446
  H      -2.323509     -3.230547      6.097360
  H      -1.125340     -4.459589      6.475070
  H      -1.711997     -6.516508      7.642195
  H      -3.381907     -7.074232      7.528548
  H      -2.998141     -7.037659      9.798034
  H      -2.016649     -5.587030      9.792561
  H      -4.626608     -5.601996     10.652682
  H      -3.867318     -4.161383      9.957040
  H      -6.071647     -4.639185      8.862200
  H      -5.459779     -6.200182      8.314128
  H      -4.392448     -3.404174      7.651727
  H      -5.213271     -4.492221      6.530864
  N      -4.542044     -2.864586      4.779401
  N      -4.720943     -1.853592      5.300244
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.504300362167
  N      -3.141631     -3.958226      2.319769
  C      -3.007843     -4.975133      1.275922
  C      -2.732537     -6.321000      1.917659
  N      -3.731660     -6.573420      2.979846
  C      -5.009271     -7.098289      2.438387
  C      -6.137891     -6.638356      3.339508
  N      -6.056030     -5.176736      3.496886
  Mo     -4.190925     -4.575783      3.926078
  N      -3.307783     -5.502116      5.489406
  C      -2.412042     -6.574059      5.035090
  C      -3.175889     -7.439114      4.048309
  H      -2.081406     -7.224321      5.856590
  H      -1.487346     -6.180334      4.566808
  H      -4.018130     -7.909428      4.574703
  H      -2.548924     -8.235013      3.607059
  H      -7.089790     -6.961363      2.900611
  H      -6.070725     -7.159580      4.314844
  H      -5.155097     -6.669885      1.436792
  H      -4.966093     -8.198531      2.346316
  H      -2.167410     -4.764973      0.603180
  H      -3.913266     -5.033954      0.637078
  H      -1.742505     -6.286957      2.393879
  H      -2.740184     -7.144816      1.180371
  C       0.981651     -0.670510      2.687766
  N      -0.398693     -0.199180      2.722687
  C      -1.228452     -0.905338      3.704087
  C      -1.619012     -2.336843      3.327350
  C      -2.524302     -2.599878      2.089826
  C      -1.629594     -2.515528      0.825726
  C      -2.343233     -2.467894     -0.533237
  C      -3.462159     -1.424560     -0.558753
  C      -4.392767     -1.614086      0.637819
  C      -3.610093     -1.510969      1.944486
  C     -10.108155     -6.176892      5.948502
  N      -8.731253     -6.556939      5.650343
  C      -7.753079     -5.519952      5.996851
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  C      -7.358083     -4.440067      3.611769
  C      -8.507734     -5.119251      2.829256
  C      -8.271708     -5.244322      1.314953
  C      -7.554719     -4.009487      0.736800
  C      -7.815785     -2.797867      1.628003
  C      -7.183715     -3.007742      3.009631
  C      -2.105786     -1.277452      9.557125
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  C      -2.032918     -3.949027      6.863033
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  H       1.461790     -0.712436      3.689249
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  H       1.024088     -1.682656      2.258741
  H      -0.403806      0.795856      2.949611
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  H      -1.598746     -2.247734     -1.315785
  H      -2.778988     -3.445524     -0.791096
  H      -4.019250     -1.491019     -1.506844
  H      -3.026113     -0.410674     -0.514757
  H      -5.193315     -0.857826      0.625413
  H      -4.889002     -2.597529      0.580093
  H      -4.289869     -1.537821      2.802903
  H      -3.109826     -0.528289      1.963764
  H     -10.248549     -5.784302      6.978907
  H     -10.445043     -5.397612      5.249301
  H     -10.766575     -7.046689      5.816118
  H      -8.501396     -7.398262      6.181432
  H      -7.896813     -5.167391      7.042860
  H      -6.753509     -5.977602      5.958275
  H      -7.063741     -3.561697      5.555143
  H      -8.753585     -3.794367      5.138876
  H      -8.767262     -6.084234      3.283277
  H      -9.387622     -4.476215      2.992800
  H      -9.252187     -5.368621      0.827135
  H      -7.699819     -6.154698      1.077601
  H      -7.876702     -3.822243     -0.299085
  H      -6.467343     -4.187573      0.704132
  H      -8.904395     -2.635707      1.713828
  H      -7.402625     -1.882160      1.178372
  H      -6.105025     -2.823780      2.926999
  H      -7.573531     -2.259522      3.716637
  H      -2.052872     -1.870517     10.484087
  H      -2.811712     -0.452433      9.725367
  H      -1.095911     -0.845325      9.382535
  H      -2.768863     -1.547239      7.641384
  H      -1.490285     -3.817504      8.983262
  H      -0.612690     -2.725493      7.909580
  H      -2.334068     -3.219172      6.096701
  H      -1.129861     -4.444521      6.468165
  H      -1.708051     -6.504473      7.639152
  H      -3.375993     -7.067739      7.526382
  H      -2.996390     -7.029622      9.795564
  H      -2.013386     -5.579923      9.790786
  H      -4.619494     -5.588271     10.653991
  H      -3.863438     -4.150972      9.946909
  H      -6.072605     -4.640031      8.861928
  H      -5.454868     -6.199853      8.316917
  H      -4.400088     -3.400722      7.647597
  H      -5.216411     -4.493736      6.528589
  N      -4.548366     -2.862175      4.777916
  N      -4.728427     -1.852586      5.301208
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.504327033238
  N      -3.150755     -3.959335      2.310125
  C      -3.015167     -4.977933      1.268698
  C      -2.735502     -6.321528      1.914459
  N      -3.734847     -6.572578      2.976677
  C      -5.011493     -7.099078      2.434668
  C      -6.141140     -6.641051      3.335159
  N      -6.060957     -5.179354      3.492599
  Mo     -4.196998     -4.573094      3.919720
  N      -3.313744     -5.495657      5.485581
  C      -2.420484     -6.572227      5.035892
  C      -3.181939     -7.436968      4.047537
  H      -2.094685     -7.222602      5.859221
  H      -1.492621     -6.182263      4.570688
  H      -4.025820     -7.906121      4.572393
  H      -2.554662     -8.233858      3.608631
  H      -7.091991     -6.964569      2.894392
  H      -6.075121     -7.162906      4.310049
  H      -5.157232     -6.672125      1.432584
  H      -4.967020     -8.199393      2.343500
  H      -2.176295     -4.766795      0.594458
  H      -3.921407     -5.041080      0.631871
  H      -1.745742     -6.283247      2.390925
  H      -2.741015     -7.148069      1.180066
  C       0.986677     -0.683983      2.703918
  N      -0.394381     -0.215568      2.747784
  C      -1.219896     -0.934166      3.723460
  C      -1.611024     -2.360816      3.329365
  C      -2.519745     -2.606078      2.091017
  C      -1.626378     -2.518026      0.826421
  C      -2.342567     -2.459591     -0.530712
  C      -3.455769     -1.409898     -0.548625
  C      -4.384122     -1.599464      0.649755
  C      -3.597572     -1.508400      1.955014
  C     -10.109460     -6.200237      5.938664
  N      -8.730791     -6.574648      5.641229
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  C      -7.770901     -4.293291      5.101118
  C      -7.364179     -4.445009      3.611771
  C      -8.510932     -5.124644      2.825054
  C      -8.270761     -5.243783      1.311039
  C      -7.559647     -4.003116      0.737695
  C      -7.826118     -2.796135      1.633711
  C      -7.195049     -3.009374      3.015217
  C      -2.088877     -1.258209      9.540470
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  C      -2.751397     -6.200764      7.829503
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  H       1.470568     -0.733941      3.703194
  H       1.580967     -0.018894      2.062266
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  H      -0.401298      0.776969      2.985479
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  H      -2.131555     -0.342787      3.891705
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  H      -1.598844     -2.240549     -1.314219
  H      -2.784570     -3.433564     -0.791695
  H      -4.016116     -1.469579     -1.495176
  H      -3.013489     -0.398941     -0.502156
  H      -5.179655     -0.837874      0.644066
  H      -4.886758     -2.579374      0.588484
  H      -4.276098     -1.535899      2.814361
  H      -3.090298     -0.529444      1.978853
  H     -10.252554     -5.810911      6.969914
  H     -10.448174     -5.420308      5.241066
  H     -10.764648     -7.071943      5.802991
  H      -8.498961     -7.416780      6.170166
  H      -7.903253     -5.186767      7.039892
  H      -6.755541     -5.989466      5.954675
  H      -7.073906     -3.573245      5.558703
  H      -8.762334     -3.810088      5.140199
  H      -8.769612     -6.091664      3.275187
  H      -9.392700     -4.484207      2.988646
  H      -9.249275     -5.372914      0.820552
  H      -7.692473     -6.149848      1.072924
  H      -7.882403     -3.813345     -0.297459
  H      -6.471470     -4.176110      0.704583
  H      -8.915375     -2.637970      1.718690
  H      -7.415927     -1.877072      1.188135
  H      -6.117099     -2.819705      2.935441
  H      -7.590270     -2.266678      3.725035
  H      -2.013770     -1.843519     10.470834
  H      -2.797801     -0.437276      9.715777
  H      -1.085803     -0.820222      9.342980
  H      -2.788450     -1.547017      7.640460
  H      -1.476004     -3.805502      8.969709
  H      -0.614565     -2.709075      7.886936
  H      -2.347930     -3.208278      6.091675
  H      -1.137931     -4.431498      6.453726
  H      -1.709084     -6.493509      7.632987
  H      -3.377282     -7.057281      7.529456
  H      -2.995457     -7.011904      9.796015
  H      -2.003607     -5.567843      9.784730
  H      -4.600089     -5.552199     10.662298
  H      -3.847144     -4.125491      9.929775
  H      -6.068837     -4.626742      8.869376
  H      -5.450061     -6.189216      8.332198
  H      -4.409799     -3.391531      7.635932
  H      -5.223205     -4.497288      6.528871
  N      -4.558520     -2.862551      4.776249
  N      -4.738995     -1.856155      5.305771
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.504338028622
  N      -3.158082     -3.956907      2.301491
  C      -3.024031     -4.976779      1.261423
  C      -2.738417     -6.318360      1.909515
  N      -3.735494     -6.569745      2.973667
  C      -5.011765     -7.099669      2.434143
  C      -6.140681     -6.642965      3.336298
  N      -6.062489     -5.181166      3.492428
  Mo     -4.199746     -4.569056      3.914159
  N      -3.316642     -5.487864      5.482413
  C      -2.421979     -6.564307      5.034328
  C      -3.180343     -7.431261      4.045694
  H      -2.096150     -7.214221      5.858025
  H      -1.493700     -6.173823      4.570168
  H      -4.023172     -7.902580      4.570336
  H      -2.550596     -8.226917      3.608025
  H      -7.091889     -6.968172      2.897693
  H      -6.071584     -7.164070      4.311343
  H      -5.159988     -6.674162      1.431858
  H      -4.965023     -8.199992      2.344033
  H      -2.188568     -4.764499      0.583431
  H      -3.932850     -5.043885      0.628808
  H      -1.748054     -6.275768      2.384390
  H      -2.742370     -7.146855      1.177210
  C       0.993985     -0.698358      2.706996
  N      -0.386388     -0.228526      2.757914
  C      -1.209923     -0.952500      3.731009
  C      -1.604519     -2.375620      3.327088
  C      -2.516827     -2.608351      2.088869
  C      -1.625487     -2.520074      0.823048
  C      -2.344595     -2.454111     -0.532224
  C      -3.453165     -1.399366     -0.544128
  C      -4.379184     -1.588156      0.656125
  C      -3.588708     -1.504104      1.959592
  C     -10.108057     -6.214930      5.937740
  N      -8.727969     -6.584571      5.640841
  C      -7.757671     -5.542277      5.993790
  C      -7.774974     -4.299706      5.102892
  C      -7.366964     -4.448379      3.613567
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  N      -2.580664     -2.107649      8.470306
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  C      -2.753052     -6.192703      7.827472
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  C      -5.148708     -5.148680      8.583225
  C      -4.531727     -4.445618      7.373041
  H       1.480890     -0.754644      3.704440
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  H       1.033552     -1.704055      2.262698
  H      -0.391373      0.762462      3.002028
  H      -0.693990     -1.033091      4.715367
  H      -2.120904     -0.361810      3.905435
  H      -0.706542     -3.004641      3.200288
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  H      -0.876436     -3.329447      0.835900
  H      -1.060207     -1.583961      0.957414
  H      -1.601729     -2.236229     -1.316848
  H      -2.791761     -3.425239     -0.795285
  H      -4.016099     -1.453614     -1.489458
  H      -3.006072     -0.390608     -0.495725
  H      -5.171502     -0.823186      0.654732
  H      -4.886100     -2.565911      0.594151
  H      -4.265289     -1.531404      2.820475
  H      -3.076544     -0.527735      1.984938
  H     -10.252949     -5.826663      6.969132
  H     -10.449035     -5.435769      5.240377
  H     -10.760262     -7.088747      5.801250
  H      -8.493723     -7.426301      6.169362
  H      -7.906105     -5.194749      7.040880
  H      -6.754909     -5.993097      5.956426
  H      -7.080237     -3.578163      5.561549
  H      -8.767664     -3.819132      5.142203
  H      -8.769634     -6.096909      3.273270
  H      -9.394373     -4.490079      2.987787
  H      -9.245526     -5.378957      0.818892
  H      -7.686277     -6.150123      1.073831
  H      -7.884023     -3.812489     -0.295406
  H      -6.471976     -4.172164      0.706272
  H      -8.920720     -2.641826      1.720902
  H      -7.422315     -1.877054      1.193334
  H      -6.123603     -2.818076      2.941005
  H      -7.600124     -2.271492      3.729534
  H      -2.005441     -1.837717     10.470151
  H      -2.796979     -0.433268      9.719418
  H      -1.085986     -0.812125      9.337551
  H      -2.796505     -1.543429      7.643974
  H      -1.475157     -3.801446      8.965462
  H      -0.617559     -2.701739      7.883062
  H      -2.355438     -3.198357      6.091425
  H      -1.142964     -4.421443      6.448298
  H      -1.710548     -6.484769      7.630876
  H      -3.378223     -7.049992      7.528070
  H      -2.999996     -7.003885      9.793592
  H      -2.004182     -5.562347      9.783497
  H      -4.597915     -5.538584     10.662783
  H      -3.845389     -4.114597      9.924537
  H      -6.069906     -4.617850      8.869675
  H      -5.451747     -6.181410      8.334542
  H      -4.416816     -3.384464      7.628049
  H      -5.226925     -4.497253      6.526639
  N      -4.564567     -2.860193      4.771681
  N      -4.746631     -1.854953      5.302949
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.504345217491
  N      -3.153233     -3.959275      2.305958
  C      -3.014924     -4.978963      1.265887
  C      -2.736886     -6.322243      1.913837
  N      -3.740759     -6.572771      2.971666
  C      -5.015394     -7.099618      2.425797
  C      -6.146374     -6.645747      3.327401
  N      -6.065983     -5.185569      3.488817
  Mo     -4.203549     -4.573088      3.912142
  N      -3.322995     -5.492370      5.482038
  C      -2.435926     -6.576837      5.039319
  C      -3.194183     -7.437088      4.045292
  H      -2.123339     -7.232481      5.863594
  H      -1.499510     -6.195736      4.583231
  H      -4.041566     -7.905383      4.565321
  H      -2.565981     -8.235604      3.610344
  H      -7.097007     -6.967562      2.885202
  H      -6.080330     -7.171216      4.300314
  H      -5.160301     -6.668563      1.425343
  H      -4.968319     -8.199471      2.329870
  H      -2.174896     -4.768410      0.592799
  H      -3.920081     -5.043285      0.627748
  H      -1.749309     -6.283137      2.394835
  H      -2.737715     -7.149797      1.180380
  C       0.978751     -0.666475      2.720402
  N      -0.407705     -0.214597      2.769252
  C      -1.222993     -0.948626      3.741190
  C      -1.604176     -2.374761      3.333042
  C      -2.513494     -2.610333      2.093490
  C      -1.619140     -2.521020      0.829632
  C      -2.334763     -2.458578     -0.527656
  C      -3.445909     -1.406639     -0.542509
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  C     -10.107827     -6.217489      5.935535
  N      -8.727975     -6.586786      5.637064
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  N      -2.564341     -2.109947      8.464474
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  C      -3.158320     -5.015424      6.904883
  C      -2.759118     -6.196095      7.828538
  C      -2.914185     -5.997327      9.351419
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  C      -5.145189     -5.135741      8.592919
  C      -4.530404     -4.442843      7.375800
  H       1.465938     -0.712183      3.718225
  H       1.563214      0.006878      2.078331
  H       1.032005     -1.673271      2.280089
  H      -0.425591      0.776493      3.012288
  H      -0.706435     -1.025706      4.725328
  H      -2.140616     -0.368696      3.917294
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  H      -0.867673     -3.328095      0.845826
  H      -1.057467     -1.582650      0.963128
  H      -1.590284     -2.239501     -1.310435
  H      -2.778837     -3.431001     -0.791396
  H      -4.005395     -1.460787     -1.489899
  H      -3.001302     -0.396853     -0.491069
  H      -5.170537     -0.836417      0.649787
  H      -4.878296     -2.577931      0.592149
  H      -4.266299     -1.539012      2.820565
  H      -3.080772     -0.530880      1.985376
  H     -10.251611     -5.829818      6.967308
  H     -10.449699     -5.438076      5.238866
  H     -10.760012     -7.091375      5.799328
  H      -8.493295     -7.428959      6.164690
  H      -7.904066     -5.197999      7.037100
  H      -6.754467     -5.994946      5.949888
  H      -7.079342     -3.581379      5.558124
  H      -8.767924     -3.820006      5.141111
  H      -8.773983     -6.094713      3.269234
  H      -9.396582     -4.486546      2.987905
  H      -9.253460     -5.373353      0.817102
  H      -7.695181     -6.147022      1.068474
  H      -7.893189     -3.806816     -0.297511
  H      -6.478173     -4.171646      0.697873
  H      -8.919497     -2.635153      1.722367
  H      -7.419633     -1.875315      1.192474
  H      -6.120920     -2.821384      2.935774
  H      -7.594317     -2.272258      3.728587
  H      -1.968879     -1.820207     10.455259
  H      -2.765544     -0.422137      9.697798
  H      -1.059093     -0.808725      9.302776
  H      -2.790087     -1.555447      7.634422
  H      -1.468164     -3.810787      8.961142
  H      -0.606414     -2.717554      7.876204
  H      -2.350449     -3.205969      6.088625
  H      -1.143481     -4.435095      6.444897
  H      -1.719473     -6.495995      7.628730
  H      -3.391529     -7.050050      7.534700
  H      -3.003904     -7.001451      9.796674
  H      -1.998313     -5.566410      9.780425
  H      -4.587714     -5.525362     10.670359
  H      -3.831293     -4.106487      9.927760
  H      -6.060954     -4.596641      8.881597
  H      -5.457521     -6.166689      8.348176
  H      -4.413927     -3.379316      7.619515
  H      -5.228315     -4.500830      6.532072
  N      -4.566445     -2.866431      4.772549
  N      -4.747640     -1.863343      5.308241
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.504352130297
  N      -3.157064     -3.956734      2.298832
  C      -3.024012     -4.977582      1.259459
  C      -2.740072     -6.319223      1.908383
  N      -3.738789     -6.569728      2.971059
  C      -5.014426     -7.100160      2.430974
  C      -6.142790     -6.645174      3.335185
  N      -6.063798     -5.184337      3.492376
  Mo     -4.201652     -4.568380      3.909169
  N      -3.320710     -5.485123      5.480210
  C      -2.429302     -6.565782      5.036048
  C      -3.185800     -7.430626      4.044484
  H      -2.110791     -7.219080      5.859985
  H      -1.496201     -6.180117      4.577023
  H      -4.029930     -7.902408      4.566679
  H      -2.554867     -8.226658      3.608994
  H      -7.094915     -6.969444      2.898033
  H      -6.071784     -7.167451      4.309537
  H      -5.163606     -6.672031      1.429905
  H      -4.966163     -8.200188      2.338098
  H      -2.188693     -4.766643      0.580891
  H      -3.933172     -5.044284      0.627292
  H      -1.750427     -6.277023      2.384930
  H      -2.742631     -7.148158      1.176500
  C       0.988504     -0.683284      2.711117
  N      -0.395736     -0.224954      2.764068
  C      -1.212328     -0.957129      3.736434
  C      -1.599958     -2.380750      3.326456
  C      -2.512164     -2.610489      2.087576
  C      -1.620049     -2.521990      0.822250
  C      -2.338439     -2.454845     -0.533420
  C      -3.446850     -1.399953     -0.544336
  C      -4.373755     -1.590343      0.654825
  C      -3.583802     -1.505601      1.958782
  C     -10.108026     -6.218401      5.937219
  N      -8.727834     -6.586939      5.639469
  C      -7.758047     -5.544727      5.993078
  C      -7.775873     -4.301499      5.103342
  C      -7.367756     -4.449521      3.613852
  C      -8.512202     -5.129994      2.825577
  C      -8.270720     -5.247236      1.311929
  C      -7.564197     -4.003605      0.739375
  C      -7.832866     -2.798766      1.637516
  C      -7.201654     -3.012501      3.018979
  C      -2.075693     -1.254324      9.541006
  N      -2.575414     -2.111824      8.476356
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  H       1.477351     -0.734438      3.707851
  H       1.574817     -0.010487      2.070162
  H       1.036301     -1.688865      2.267469
  H      -0.408086      0.765624      3.009468
  H      -0.693902     -1.038075      4.719366
  H      -2.126952     -0.373272      3.915170
  H      -0.698766     -3.004288      3.195072
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  H      -1.594945     -2.236030     -1.317232
  H      -2.785551     -3.425565     -0.798337
  H      -4.008574     -1.451614     -1.490568
  H      -2.999651     -0.391290     -0.492809
  H      -5.167106     -0.826392      0.652754
  H      -4.879670     -2.568760      0.592808
  H      -4.260063     -1.534227      2.819943
  H      -3.072332     -0.528874      1.983953
  H     -10.252680     -5.831546      6.969190
  H     -10.449736     -5.438578      5.240940
  H     -10.759773     -7.092452      5.799969
  H      -8.493074     -7.429349      6.166678
  H      -7.906175     -5.198023      7.040538
  H      -6.754874     -5.994630      5.954783
  H      -7.080567     -3.580701      5.562280
  H      -8.768426     -3.820813      5.143662
  H      -8.769792     -6.098098      3.274316
  H      -9.394959     -4.491173      2.990525
  H      -9.248355     -5.380860      0.820857
  H      -7.688790     -6.151158      1.074523
  H      -7.890133     -3.813115     -0.294641
  H      -6.475410     -4.172719      0.703140
  H      -8.922351     -2.641773      1.722131
  H      -7.423630     -1.878445      1.193506
  H      -6.124677     -2.818319      2.939799
  H      -7.601085     -2.272945      3.729748
  H      -1.985389     -1.838214     10.470985
  H      -2.785455     -0.436020      9.724900
  H      -1.076823     -0.812622      9.330062
  H      -2.800434     -1.550496      7.650600
  H      -1.468924     -3.809280      8.961621
  H      -0.614846     -2.705405      7.881425
  H      -2.357252     -3.193991      6.092918
  H      -1.145844     -4.420643      6.443269
  H      -1.714454     -6.484375      7.629388
  H      -3.383463     -7.046126      7.528673
  H      -3.006237     -7.000868      9.791892
  H      -2.003495     -5.563948      9.783181
  H      -4.594952     -5.529450     10.664732
  H      -3.839581     -4.107568      9.926306
  H      -6.066040     -4.602192      8.874775
  H      -5.457320     -6.169634      8.340083
  H      -4.419417     -3.378204      7.618372
  H      -5.228714     -4.499867      6.526909
  N      -4.565320     -2.860917      4.767210
  N      -4.747333     -1.856751      5.300643
109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca E -5877.504353364820
  N      -3.155690     -3.956791      2.301380
  C      -3.022570     -4.976850      1.261179
  C      -2.739736     -6.319183      1.908954
  N      -3.738641     -6.570253      2.971428
  C      -5.014210     -7.100263      2.430742
  C      -6.142800     -6.645640      3.334813
  N      -6.063725     -5.184789      3.492805
  Mo     -4.201553     -4.569530      3.910583
  N      -3.320890     -5.487496      5.481034
  C      -2.428876     -6.567329      5.036013
  C      -3.185432     -7.431964      4.044200
  H      -2.109634     -7.220767      5.859562
  H      -1.496348     -6.180689      4.576727
  H      -4.029380     -7.904280      4.566194
  H      -2.554325     -8.227429      3.608004
  H      -7.094823     -6.969657      2.897291
  H      -6.072151     -7.168273      4.309021
  H      -5.163224     -6.671394      1.429951
  H      -4.966078     -8.200225      2.337250
  H      -2.186565     -4.765744      0.583421
  H      -3.931221     -5.042280      0.628101
  H      -1.750108     -6.277994      2.385636
  H      -2.742809     -7.147306      1.176212
  C       0.988300     -0.681671      2.710302
  N      -0.395832     -0.222837      2.761952
  C      -1.213158     -0.953290      3.735177
  C      -1.601326     -2.377260      3.327553
  C      -2.512978     -2.609591      2.088621
  C      -1.620817     -2.521856      0.823342
  C      -2.339152     -2.456198     -0.532433
  C      -3.448015     -1.401812     -0.544543
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  C      -3.585498     -1.505606      1.958628
  C     -10.108532     -6.215938      5.938950
  N      -8.728581     -6.585161      5.641006
  C      -7.758269     -5.543015      5.993457
  C      -7.775698     -4.300372      5.102684
  C      -7.367438     -4.449510      3.613320
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  C      -7.562748     -4.003988      0.738887
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  N      -2.575823     -2.112345      8.474255
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  C      -5.147952     -5.139717      8.587107
  C      -4.532394     -4.442728      7.372589
  H       1.476595     -0.731819      3.707369
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  H      -0.407850      0.768088      3.005990
  H      -0.694565     -1.033202      4.718157
  H      -2.127100     -0.368189      3.913241
  H      -0.700196     -3.001325      3.198085
  H      -2.121971     -2.801782      4.196212
  H      -0.872030     -3.331490      0.837228
  H      -1.056054     -1.585409      0.957265
  H      -1.595702     -2.237592     -1.316350
  H      -2.785724     -3.427374     -0.796483
  H      -4.009529     -1.454687     -1.490838
  H      -3.001386     -0.392862     -0.493945
  H      -5.168596     -0.827618      0.651746
  H      -4.880943     -2.569936      0.593131
  H      -4.262009     -1.533784      2.819584
  H      -3.074341     -0.528704      1.983295
  H     -10.252711     -5.828230      6.970664
  H     -10.450220     -5.436523      5.242214
  H     -10.760614     -7.089880      5.802615
  H      -8.493866     -7.427255      6.168739
  H      -7.906109     -5.195418      7.040647
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  H      -7.080353     -3.579402      5.561293
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  H      -8.770511     -6.097176      3.273732
  H      -9.394596     -4.489893      2.989481
  H      -9.248560     -5.379075      0.820048
  H      -7.690008     -6.151500      1.073519
  H      -7.887744     -3.813372     -0.295418
  H      -6.474087     -4.174013      0.703491
  H      -8.920430     -2.641445      1.721236
  H      -7.421201     -1.878770      1.192679
  H      -6.122488     -2.820519      2.938363
  H      -7.597498     -2.272240      3.728718
  H      -1.989755     -1.840190     10.470369
  H      -2.786669     -0.436843      9.723242
  H      -1.077693     -0.815045      9.331825
  H      -2.798339     -1.550123      7.648380
  H      -1.469197     -3.809165      8.961281
  H      -0.614836     -2.706141      7.880415
  H      -2.356128     -3.196568      6.091429
  H      -1.145241     -4.422963      6.443444
  H      -1.713956     -6.485647      7.629903
  H      -3.382905     -7.047627      7.529227
  H      -3.004971     -7.002034      9.792755
  H      -2.003266     -5.564503      9.783511
  H      -4.595424     -5.531765     10.664550
  H      -3.839680     -4.109400      9.927206
  H      -6.065707     -4.603608      8.875098
  H      -5.457380     -6.171036      8.340239
  H      -4.418076     -3.379738      7.619770
  H      -5.228462     -4.500064      6.527283
  N      -4.565202     -2.861745      4.768211
  N      -4.747559     -1.857223      5.300855
