75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.391886610136
  N      -2.971111     -3.498495      2.544931
  C      -2.371185     -4.241191      1.439095
  C      -1.909243     -5.599039      1.948585
  N      -2.958741     -6.185001      2.813664
  C      -4.066987     -6.708783      1.972546
  C      -5.396033     -6.276629      2.593561
  N      -5.230756     -4.943870      3.136548
  Mo     -3.588246     -4.560643      4.110640
  N      -2.283719     -5.593451      5.230010
  C      -1.498199     -6.692086      4.693097
  C      -2.370681     -7.294971      3.595876
  H      -1.300149     -7.442492      5.467196
  H      -0.528948     -6.355233      4.302285
  H      -3.191478     -7.850679      4.065245
  H      -1.796279     -7.968558      2.949882
  H      -6.196552     -6.325672      1.851077
  H      -5.668204     -6.937290      3.432623
  H      -4.002257     -6.285852      0.968940
  H      -4.013430     -7.797128      1.888480
  H      -1.507213     -3.704178      1.033164
  H      -3.112463     -4.356186      0.637650
  H      -0.998016     -5.460181      2.537381
  H      -1.682534     -6.265627      1.109111
  C      -3.271806     -2.206898      2.278943
  C      -3.138587     -1.640008      0.990218
  C      -3.356659     -0.307219      0.708617
  C      -3.233503      0.103980     -0.703405
  O      -2.781209     -0.614251     -1.565989
  C      -3.721332      0.593210      1.753412
  C      -3.889369      2.038856      1.582512
  O      -3.631999      2.692658      0.598551
  C      -3.907283      0.063536      3.011134
  C      -3.726209     -1.304087      3.313987
  C      -4.013144     -1.728278      4.621427
  O      -4.022477     -2.948585      4.972615
  C      -6.246446     -4.031946      2.990631
  C      -6.757997     -3.418595      4.145767
  C      -7.810512     -2.515851      4.128320
  C      -8.214090     -1.933755      5.422115
  O      -8.881584     -0.943933      5.590315
  C      -8.429338     -2.204360      2.893837
  C      -9.599414     -1.321274      2.761257
  O     -10.052605     -0.972519      1.694570
  C      -7.928696     -2.799235      1.742592
  C      -6.847654     -3.676896      1.744851
  C      -6.289101     -4.037403      0.443779
  O      -5.221176     -4.577528      0.259862
  C      -2.052977     -5.247344      6.528611
  C      -0.778228     -5.304588      7.107459
  C      -0.538967     -4.924951      8.421897
  C       0.858843     -5.001958      8.891020
  O       1.802402     -5.075769      8.137359
  C      -1.617354     -4.525211      9.250244
  C      -1.455918     -4.065168     10.634164
  O      -0.418662     -3.774601     11.182493
  C      -2.900844     -4.565074      8.721107
  C      -3.146981     -4.905557      7.386447
  C      -4.474905     -5.090573      6.895390
  O      -4.738956     -5.246314      5.682732
  H      -2.873677     -2.247474      0.139514
  H      -3.596980      1.113781     -0.935799
  H      -4.281794      2.534259      2.490657
  H      -4.209472      0.716972      3.816345
  H      -4.288957     -0.984555      5.373049
  H      -6.340298     -3.707972      5.102808
  H      -7.808927     -2.489396      6.288692
  H     -10.058689     -0.994760      3.705210
  H      -8.401849     -2.538473      0.805783
  H      -6.907296     -3.707562     -0.407051
  H       0.076756     -5.617423      6.526668
  H       0.996495     -4.996856      9.980776
  H      -2.416186     -3.979728     11.175801
  H      -3.740167     -4.315166      9.352944
  H      -5.294519     -5.140829      7.620472
  N      -1.805258     -3.470676      4.522738
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.430195589866
  N      -2.949371     -3.473330      2.522013
  C      -2.345175     -4.235281      1.420918
  C      -1.872128     -5.587317      1.943691
  N      -2.917990     -6.187798      2.822724
  C      -4.041689     -6.717841      1.987138
  C      -5.378023     -6.282678      2.602344
  N      -5.234140     -4.930058      3.133686
  Mo     -3.563367     -4.546533      4.122740
  N      -2.255540     -5.602431      5.267181
  C      -1.467679     -6.699521      4.720725
  C      -2.324753     -7.297606      3.616843
  H      -1.273342     -7.455080      5.493734
  H      -0.492861     -6.354564      4.338875
  H      -3.148246     -7.855889      4.081958
  H      -1.747135     -7.972609      2.968585
  H      -6.175830     -6.345743      1.852870
  H      -5.651748     -6.943534      3.445746
  H      -3.977361     -6.298402      0.981089
  H      -3.979302     -7.810861      1.910344
  H      -1.482499     -3.695941      1.006526
  H      -3.086268     -4.366000      0.620210
  H      -0.960263     -5.439213      2.532111
  H      -1.643649     -6.261703      1.105584
  C      -3.264156     -2.180762      2.260210
  C      -3.139051     -1.622290      0.963514
  C      -3.375801     -0.291964      0.672711
  C      -3.265001      0.103935     -0.754023
  O      -2.804908     -0.630145     -1.615514
  C      -3.751051      0.613114      1.722045
  C      -3.941616      2.061429      1.566304
  O      -3.696543      2.738052      0.580737
  C      -3.928922      0.085953      2.987903
  C      -3.730750     -1.277460      3.300070
  C      -4.021548     -1.688803      4.618576
  O      -4.026890     -2.907940      4.995318
  C      -6.265983     -4.015512      2.966480
  C      -6.776603     -3.382441      4.118031
  C      -7.832891     -2.477512      4.097340
  C      -8.204637     -1.887652      5.402608
  O      -8.871077     -0.886794      5.587232
  C      -8.470469     -2.178839      2.861375
  C      -9.650667     -1.297185      2.720174
  O     -10.114385     -0.968447      1.638684
  C      -7.976402     -2.792823      1.713984
  C      -6.889660     -3.672317      1.714819
  C      -6.376755     -4.032392      0.389241
  O      -5.313610     -4.583644      0.146626
  C      -2.027699     -5.270758      6.571481
  C      -0.749255     -5.360162      7.154654
  C      -0.507669     -4.991238      8.471491
  C       0.897196     -5.104911      8.944337
  O       1.846290     -5.202855      8.183852
  C      -1.591885     -4.569731      9.305875
  C      -1.443699     -4.112554     10.695827
  O      -0.401135     -3.837162     11.265798
  C      -2.875662     -4.581161      8.774833
  C      -3.125162     -4.909650      7.434348
  C      -4.450518     -5.072459      6.948761
  O      -4.725186     -5.231917      5.725742
  H      -2.868315     -2.240415      0.112311
  H      -3.646085      1.110763     -1.002473
  H      -4.340808      2.543547      2.491070
  H      -4.241431      0.747072      3.796524
  H      -4.308079     -0.934778      5.361048
  H      -6.349825     -3.655631      5.079507
  H      -7.771856     -2.445569      6.267723
  H     -10.111666     -0.954562      3.665173
  H      -8.462242     -2.546009      0.769425
  H      -7.036008     -3.693574     -0.440654
  H       0.106290     -5.687211      6.567910
  H       1.035389     -5.117292     10.040876
  H      -2.420269     -4.010065     11.226209
  H      -3.718538     -4.315953      9.413176
  H      -5.272551     -5.119143      7.679577
  N      -1.809862     -3.490832      4.442552
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.462787690898
  N      -2.938299     -3.444968      2.511284
  C      -2.344449     -4.224854      1.411990
  C      -1.865602     -5.575116      1.941018
  N      -2.902605     -6.182246      2.837702
  C      -4.043901     -6.709432      2.010907
  C      -5.382048     -6.270599      2.624337
  N      -5.254143     -4.904667      3.147004
  Mo     -3.546184     -4.530781      4.148878
  N      -2.225297     -5.621007      5.308574
  C      -1.448569     -6.718181      4.739508
  C      -2.305054     -7.297106      3.632781
  H      -1.256236     -7.484156      5.504115
  H      -0.471106     -6.372210      4.357709
  H      -3.130711     -7.854256      4.097161
  H      -1.734790     -7.971244      2.974020
  H      -6.176961     -6.341003      1.869486
  H      -5.656995     -6.931127      3.469637
  H      -3.983544     -6.289229      1.003185
  H      -3.977462     -7.804465      1.937427
  H      -1.484252     -3.689138      0.983803
  H      -3.094444     -4.363450      0.618636
  H      -0.948025     -5.426884      2.521803
  H      -1.648031     -6.254875      1.101700
  C      -3.263410     -2.152349      2.262076
  C      -3.152333     -1.600460      0.959610
  C      -3.401187     -0.272285      0.665512
  C      -3.308746      0.117300     -0.768757
  O      -2.851980     -0.627348     -1.633750
  C      -3.773008      0.634889      1.719438
  C      -3.976899      2.082567      1.571686
  O      -3.747211      2.767828      0.578695
  C      -3.936913      0.110884      2.992286
  C      -3.729029     -1.250212      3.311068
  C      -4.017268     -1.645028      4.641254
  O      -4.025042     -2.857791      5.049997
  C      -6.293962     -3.997847      2.957552
  C      -6.824689     -3.342188      4.090316
  C      -7.887742     -2.442269      4.034768
  C      -8.267230     -1.833915      5.331449
  O      -8.943907     -0.827994      5.498356
  C      -8.515336     -2.169732      2.783659
  C      -9.700951     -1.295504      2.609513
  O     -10.153608     -0.992163      1.507378
  C      -8.000080     -2.807182      1.655520
  C      -6.905655     -3.682351      1.690271
  C      -6.380812     -4.060721      0.371452
  O      -5.307843     -4.614699      0.134034
  C      -1.990828     -5.302314      6.608834
  C      -0.705956     -5.420198      7.188453
  C      -0.454210     -5.057908      8.503100
  C       0.954646     -5.200414      8.975447
  O       1.904077     -5.317641      8.207900
  C      -1.532568     -4.613604      9.348151
  C      -1.376589     -4.159856     10.738209
  O      -0.321176     -3.905346     11.311330
  C      -2.818939     -4.597323      8.825484
  C      -3.083326     -4.918144      7.482518
  C      -4.411535     -5.055946      7.013979
  O      -4.711176     -5.218008      5.788120
  H      -2.885157     -2.226190      0.108182
  H      -3.698675      1.123222     -1.022164
  H      -4.371249      2.559792      2.506284
  H      -4.248829      0.778017      3.802499
  H      -4.302624     -0.877029      5.372283
  H      -6.407978     -3.591716      5.064887
  H      -7.832957     -2.378370      6.209963
  H     -10.178009     -0.932614      3.542656
  H      -8.473970     -2.583897      0.694392
  H      -7.040671     -3.734158     -0.469253
  H       0.142775     -5.762539      6.594117
  H       1.096044     -5.216742     10.074904
  H      -2.355006     -4.037679     11.270295
  H      -3.655346     -4.315418      9.473252
  H      -5.227665     -5.092588      7.755422
  N      -1.857532     -3.512404      4.363744
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.489489279679
  N      -2.923136     -3.424900      2.496365
  C      -2.332633     -4.216903      1.403679
  C      -1.852054     -5.563772      1.940653
  N      -2.883410     -6.175441      2.846660
  C      -4.035403     -6.700891      2.024533
  C      -5.377775     -6.260734      2.629740
  N      -5.270925     -4.885079      3.142977
  Mo     -3.532532     -4.518640      4.164027
  N      -2.199759     -5.638340      5.343376
  C      -1.429819     -6.731065      4.754466
  C      -2.283707     -7.293038      3.641939
  H      -1.239163     -7.506946      5.510120
  H      -0.450783     -6.382901      4.374783
  H      -3.112164     -7.850843      4.101247
  H      -1.717296     -7.963752      2.975244
  H      -6.166276     -6.340784      1.867918
  H      -5.654884     -6.920141      3.475870
  H      -3.974928     -6.281333      1.016326
  H      -3.963784     -7.796618      1.955359
  H      -1.473237     -3.684661      0.967554
  H      -3.085978     -4.362246      0.614486
  H      -0.932676     -5.415715      2.519262
  H      -1.640036     -6.247508      1.102235
  C      -3.258492     -2.133824      2.259337
  C      -3.154735     -1.586748      0.954045
  C      -3.415903     -0.262133      0.656413
  C      -3.334489      0.123030     -0.781144
  O      -2.876646     -0.626886     -1.644354
  C      -3.791152      0.644503      1.710336
  C      -4.008071      2.089570      1.564834
  O      -3.788012      2.776715      0.567446
  C      -3.947441      0.122776      2.986698
  C      -3.729807     -1.235717      3.312876
  C      -4.022840     -1.612697      4.651421
  O      -4.035080     -2.812362      5.096498
  C      -6.311885     -3.988061      2.938286
  C      -6.842529     -3.318829      4.064513
  C      -7.908385     -2.421892      3.998702
  C      -8.278372     -1.802186      5.293241
  O      -8.957724     -0.794242      5.454650
  C      -8.542164     -2.164088      2.746636
  C      -9.730364     -1.294169      2.568439
  O     -10.188180     -1.005195      1.461446
  C      -8.026524     -2.814447      1.624988
  C      -6.928097     -3.687224      1.667438
  C      -6.415531     -4.070982      0.345135
  O      -5.343235     -4.625649      0.090462
  C      -1.966863     -5.327899      6.636562
  C      -0.681034     -5.467796      7.221933
  C      -0.427642     -5.106789      8.533822
  C       0.979039     -5.272011      9.014901
  O       1.929542     -5.408864      8.249554
  C      -1.501459     -4.640839      9.379359
  C      -1.342126     -4.185987     10.767010
  O      -0.280557     -3.949125     11.343083
  C      -2.786142     -4.603139      8.855885
  C      -3.056479     -4.921541      7.511309
  C      -4.386695     -5.040251      7.052065
  O      -4.705654     -5.207853      5.829324
  H      -2.885469     -2.217233      0.105250
  H      -3.732691      1.125466     -1.039503
  H      -4.402618      2.564704      2.501824
  H      -4.263718      0.793130      3.794731
  H      -4.310965     -0.828369      5.365195
  H      -6.421022     -3.554818      5.042295
  H      -7.835004     -2.336496      6.174902
  H     -10.205646     -0.920141      3.499163
  H      -8.502119     -2.604171      0.660116
  H      -7.086483     -3.747099     -0.489780
  H       0.163417     -5.824747      6.628019
  H       1.116088     -5.288855     10.115816
  H      -2.320444     -4.043764     11.296912
  H      -3.618611     -4.305508      9.504579
  H      -5.198990     -5.066233      7.799340
  N      -1.929619     -3.537368      4.288208
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.507750437321
  N      -2.916746     -3.411269      2.488642
  C      -2.334791     -4.208710      1.399288
  C      -1.849575     -5.550184      1.940020
  N      -2.870811     -6.164137      2.856278
  C      -4.034895     -6.682142      2.040921
  C      -5.377147     -6.241129      2.641512
  N      -5.289553     -4.861747      3.147557
  Mo     -3.520111     -4.506992      4.186033
  N      -2.173299     -5.657501      5.377543
  C      -1.410879     -6.740838      4.762540
  C      -2.267916     -7.285409      3.645058
  H      -1.217544     -7.528993      5.505158
  H      -0.432800     -6.388710      4.382611
  H      -3.098106     -7.845373      4.098746
  H      -1.707275     -7.950845      2.968027
  H      -6.158992     -6.328371      1.872989
  H      -5.657186     -6.901016      3.486563
  H      -3.974391     -6.259876      1.033211
  H      -3.961697     -7.777756      1.971553
  H      -1.479196     -3.679304      0.951200
  H      -3.096485     -4.358770      0.618259
  H      -0.926059     -5.403746      2.512590
  H      -1.646747     -6.236633      1.101469
  C      -3.264272     -2.120779      2.267450
  C      -3.175968     -1.576008      0.960658
  C      -3.453593     -0.255431      0.662708
  C      -3.394529      0.127318     -0.777028
  O      -2.943204     -0.623316     -1.641132
  C      -3.826213      0.647753      1.718454
  C      -4.058166      2.089951      1.575066
  O      -3.854947      2.775701      0.574212
  C      -3.965899      0.125992      2.996843
  C      -3.735296     -1.230097      3.327076
  C      -4.026753     -1.590007      4.673883
  O      -4.043758     -2.771574      5.157059
  C      -6.324804     -3.976328      2.925425
  C      -6.860271     -3.281751      4.035907
  C      -7.924718     -2.386348      3.943895
  C      -8.295402     -1.739608      5.224813
  O      -8.974552     -0.729072      5.363368
  C      -8.553530     -2.153935      2.683734
  C      -9.738766     -1.287571      2.484830
  O     -10.192971     -1.021616      1.370945
  C      -8.031446     -2.827879      1.578910
  C      -6.933095     -3.700248      1.646214
  C      -6.410891     -4.108466      0.336520
  O      -5.338106     -4.669541      0.097455
  C      -1.938394     -5.356121      6.664220
  C      -0.653755     -5.522930      7.255052
  C      -0.394694     -5.162802      8.563612
  C       1.007797     -5.357165      9.051218
  O       1.954891     -5.518141      8.288917
  C      -1.457397     -4.670497      9.408546
  C      -1.288593     -4.213524     10.792738
  O      -0.222233     -3.999810     11.367885
  C      -2.739990     -4.607192      8.883840
  C      -3.018351     -4.923136      7.539416
  C      -4.353722     -5.020452      7.090960
  O      -4.695554     -5.193959      5.877562
  H      -2.909287     -2.208914      0.112882
  H      -3.803695      1.125324     -1.034860
  H      -4.447095      2.563720      2.514843
  H      -4.282320      0.796696      3.804576
  H      -4.313838     -0.787030      5.368366
  H      -6.441454     -3.496411      5.020229
  H      -7.852216     -2.253552      6.118444
  H     -10.216676     -0.892725      3.405555
  H      -8.499610     -2.637420      0.606278
  H      -7.074168     -3.797525     -0.509640
  H       0.182889     -5.898362      6.661453
  H       1.141580     -5.373976     10.152416
  H      -2.262927     -4.045355     11.322175
  H      -3.565916     -4.290504      9.532155
  H      -5.159209     -5.032903      7.846444
  N      -2.000693     -3.559608      4.218722
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.517825236337
  N      -2.915350     -3.407417      2.480659
  C      -2.332805     -4.201028      1.395413
  C      -1.833909     -5.530390      1.941896
  N      -2.844398     -6.148157      2.862443
  C      -4.015792     -6.659304      2.050443
  C      -5.359029     -6.223176      2.644925
  N      -5.297272     -4.844197      3.145730
  Mo     -3.505867     -4.497191      4.206480
  N      -2.151225     -5.674765      5.409620
  C      -1.381060     -6.734313      4.766825
  C      -2.235864     -7.270000      3.641641
  H      -1.176776     -7.536404      5.491714
  H      -0.407605     -6.365453      4.391496
  H      -3.065709     -7.839686      4.083350
  H      -1.673299     -7.925296      2.956781
  H      -6.131416     -6.322684      1.868555
  H      -5.641740     -6.885233      3.487247
  H      -3.950989     -6.233096      1.045212
  H      -3.940420     -7.754134      1.977838
  H      -1.485231     -3.668132      0.935847
  H      -3.101237     -4.360818      0.623090
  H      -0.909211     -5.379485      2.511500
  H      -1.632579     -6.219307      1.105545
  C      -3.281986     -2.118558      2.273854
  C      -3.211775     -1.575602      0.966285
  C      -3.517473     -0.261937      0.667221
  C      -3.487180      0.118337     -0.774069
  O      -3.039909     -0.627138     -1.640484
  C      -3.893821      0.634784      1.723484
  C      -4.151604      2.072260      1.578406
  O      -3.972226      2.753787      0.573535
  C      -4.011224      0.112914      3.003104
  C      -3.757559     -1.238846      3.337441
  C      -4.047288     -1.583900      4.690854
  O      -4.063958     -2.745747      5.211119
  C      -6.322320     -3.967770      2.905230
  C      -6.838577     -3.231901      4.000862
  C      -7.894387     -2.331045      3.893006
  C      -8.240053     -1.639623      5.157052
  O      -8.910119     -0.622915      5.272288
  C      -8.536498     -2.130130      2.634277
  C      -9.713619     -1.259443      2.427125
  O     -10.182583     -1.022112      1.314916
  C      -8.031539     -2.838820      1.544299
  C      -6.939794     -3.718063      1.623959
  C      -6.430935     -4.156576      0.321532
  O      -5.366614     -4.730450      0.083413
  C      -1.919595     -5.386767      6.694491
  C      -0.644177     -5.592139      7.298796
  C      -0.382437     -5.232158      8.605244
  C       1.009224     -5.468983      9.106687
  O       1.954219     -5.663835      8.354176
  C      -1.431626     -4.703549      9.440971
  C      -1.254962     -4.241816     10.821493
  O      -0.187314     -4.061625     11.400404
  C      -2.707835     -4.605853      8.906467
  C      -2.988082     -4.918731      7.561921
  C      -4.328158     -4.995288      7.118176
  O      -4.686756     -5.178128      5.915882
  H      -2.943014     -2.208504      0.120404
  H      -3.912669      1.109618     -1.028105
  H      -4.536555      2.544171      2.519314
  H      -4.332375      0.780740      3.809690
  H      -4.338877     -0.762486      5.362687
  H      -6.406747     -3.418814      4.985452
  H      -7.784345     -2.124023      6.059492
  H     -10.172492     -0.830909      3.341820
  H      -8.505028     -2.669445      0.571467
  H      -7.094354     -3.851798     -0.525552
  H       0.183499     -5.993079      6.710960
  H       1.132841     -5.485187     10.208301
  H      -2.224449     -4.035159     11.343933
  H      -3.527764     -4.264178      9.547816
  H      -5.128257     -4.992060      7.879557
  N      -2.038071     -3.548437      4.154134
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.524706411589
  N      -2.922141     -3.409292      2.482736
  C      -2.339027     -4.192802      1.396238
  C      -1.821834     -5.509652      1.944423
  N      -2.821016     -6.131643      2.868045
  C      -3.998680     -6.636730      2.060799
  C      -5.339250     -6.208174      2.656565
  N      -5.299381     -4.831929      3.153905
  Mo     -3.492951     -4.490428      4.229852
  N      -2.135240     -5.688577      5.435601
  C      -1.349640     -6.716501      4.764726
  C      -2.202726     -7.252237      3.635389
  H      -1.124642     -7.531336      5.469493
  H      -0.385678     -6.322259      4.392433
  H      -3.027679     -7.835945      4.067275
  H      -1.634781     -7.896106      2.944371
  H      -6.105939     -6.321573      1.876870
  H      -5.620062     -6.872742      3.497343
  H      -3.933022     -6.206460      1.057857
  H      -3.923071     -7.730762      1.982422
  H      -1.503515     -3.652076      0.924118
  H      -3.116561     -4.361913      0.634833
  H      -0.896024     -5.351053      2.509951
  H      -1.619146     -6.200207      1.109998
  C      -3.310373     -2.120815      2.286955
  C      -3.263028     -1.579896      0.978804
  C      -3.600344     -0.273652      0.679416
  C      -3.603265      0.103822     -0.762948
  O      -3.162981     -0.635019     -1.635258
  C      -3.979246      0.615865      1.738003
  C      -4.265968      2.048706      1.592667
  O      -4.114650      2.727396      0.584476
  C      -4.068266      0.094164      3.018715
  C      -3.787183     -1.252622      3.354579
  C      -4.069597     -1.588823      4.712933
  O      -4.081977     -2.736009      5.260281
  C      -6.311478     -3.959362      2.891353
  C      -6.805973     -3.172054      3.964293
  C      -7.848358     -2.262064      3.833506
  C      -8.165956     -1.514345      5.072578
  O      -8.823477     -0.488856      5.156945
  C      -8.501671     -2.098618      2.574731
  C      -9.666713     -1.220195      2.349162
  O     -10.149697     -1.019502      1.237451
  C      -8.015612     -2.850972      1.506746
  C      -6.934875     -3.741047      1.606168
  C      -6.432603     -4.217684      0.317186
  O      -5.377488     -4.811100      0.092991
  C      -1.904662     -5.416522      6.721928
  C      -0.641564     -5.665058      7.338258
  C      -0.374581     -5.306160      8.643324
  C       1.003982     -5.591848      9.155779
  O       1.944783     -5.823093      8.411761
  C      -1.407047     -4.738561      9.469611
  C      -1.220148     -4.270837     10.846653
  O      -0.151962     -4.126232     11.429505
  C      -2.676200     -4.604011      8.925801
  C      -2.958816     -4.913086      7.581644
  C      -4.304116     -4.971235      7.142675
  O      -4.677103     -5.162529      5.950513
  H      -2.992493     -2.211296      0.133444
  H      -4.047537      1.087867     -1.009796
  H      -4.643775      2.517199      2.536998
  H      -4.392285      0.757680      3.826178
  H      -4.366502     -0.753738      5.366195
  H      -6.363887     -3.326827      4.949251
  H      -7.697374     -1.963175      5.985746
  H     -10.105058     -0.748630      3.252102
  H      -8.491895     -2.705945      0.532416
  H      -7.090684     -3.924150     -0.536878
  H       0.175070     -6.093642      6.756117
  H       1.118378     -5.609287     10.257688
  H      -2.182922     -4.021217     11.360878
  H      -3.488738     -4.235963      9.560121
  H      -5.097715     -4.950260      7.910794
  N      -2.040345     -3.512950      4.093351
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.531145029504
  N      -2.918031     -3.415481      2.488221
  C      -2.332189     -4.187521      1.398024
  C      -1.806146     -5.498022      1.944252
  N      -2.800257     -6.121739      2.867504
  C      -3.982645     -6.625594      2.067290
  C      -5.319425     -6.202806      2.666810
  N      -5.300257     -4.826734      3.154954
  Mo     -3.481425     -4.488615      4.242110
  N      -2.124944     -5.696365      5.451207
  C      -1.323367     -6.694818      4.758989
  C      -2.172643     -7.237995      3.628089
  H      -1.075869     -7.518884      5.446009
  H      -0.370261     -6.275075      4.389067
  H      -2.990855     -7.835341      4.053376
  H      -1.596173     -7.873511      2.936303
  H      -6.084084     -6.336882      1.889013
  H      -5.593261     -6.865071      3.511546
  H      -3.919535     -6.197865      1.064259
  H      -3.907825     -7.719544      1.988670
  H      -1.506078     -3.639247      0.918918
  H      -3.117317     -4.358501      0.644979
  H      -0.880832     -5.334359      2.508685
  H      -1.599466     -6.189526      1.111568
  C      -3.327114     -2.122850      2.296966
  C      -3.295658     -1.585498      0.989458
  C      -3.656683     -0.284085      0.688583
  C      -3.677662      0.093708     -0.753164
  O      -3.236618     -0.636220     -1.631147
  C      -4.041100      0.598037      1.749233
  C      -4.350692      2.028189      1.605328
  O      -4.219254      2.706290      0.596309
  C      -4.109248      0.076416      3.030002
  C      -3.805389     -1.266335      3.366254
  C      -4.084372     -1.598259      4.727064
  O      -4.095951     -2.735648      5.294502
  C      -6.302537     -3.956253      2.875939
  C      -6.774484     -3.130259      3.933820
  C      -7.807692     -2.214850      3.795326
  C      -8.091977     -1.425338      5.016659
  O      -8.742292     -0.395470      5.085598
  C      -8.481238     -2.079345      2.543344
  C      -9.639670     -1.196469      2.312827
  O     -10.144913     -1.024240      1.206955
  C      -8.017596     -2.863183      1.489519
  C      -6.942735     -3.759731      1.592082
  C      -6.457026     -4.253561      0.305701
  O      -5.406265     -4.851475      0.074867
  C      -1.896176     -5.435855      6.740037
  C      -0.647136     -5.720736      7.370363
  C      -0.379058     -5.360703      8.674975
  C       0.984912     -5.689667      9.200581
  O       1.923779     -5.953077      8.466697
  C      -1.397869     -4.757464      9.488672
  C      -1.204987     -4.281066     10.862402
  O      -0.138478     -4.166314     11.451681
  C      -2.658785     -4.592652      8.933050
  C      -2.939342     -4.902009      7.589450
  C      -4.288977     -4.946070      7.151656
  O      -4.672805     -5.147388      5.968011
  H      -3.018595     -2.214729      0.145287
  H      -4.133155      1.073948     -0.992602
  H      -4.725489      2.491837      2.552484
  H      -4.436897      0.735755      3.838320
  H      -4.387766     -0.752322      5.363782
  H      -6.318671     -3.262481      4.914730
  H      -7.602393     -1.847192      5.931151
  H     -10.052506     -0.690550      3.208894
  H      -8.504164     -2.735439      0.518575
  H      -7.120787     -3.963044     -0.544072
  H       0.160844     -6.175238      6.797235
  H       1.088081     -5.706329     10.303247
  H      -2.162223     -3.993568     11.365970
  H      -3.466329     -4.200326      9.557801
  H      -5.076620     -4.903659      7.925371
  N      -2.045340     -3.474317      3.993419
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.538363731050
  N      -2.910794     -3.428029      2.498374
  C      -2.323326     -4.187194      1.401553
  C      -1.792886     -5.494370      1.942628
  N      -2.783492     -6.118374      2.865156
  C      -3.970279     -6.620220      2.072369
  C      -5.302740     -6.200053      2.674530
  N      -5.302461     -4.824794      3.154012
  Mo     -3.471411     -4.492254      4.250101
  N      -2.116494     -5.703446      5.460253
  C      -1.304659     -6.679915      4.752466
  C      -2.149128     -7.230498      3.620001
  H      -1.040735     -7.511809      5.424695
  H      -0.359783     -6.241525      4.386080
  H      -2.961341     -7.839389      4.039503
  H      -1.564577     -7.860029      2.929341
  H      -6.063929     -6.352349      1.897241
  H      -5.572741     -6.859490      3.522564
  H      -3.909503     -6.196591      1.068592
  H      -3.898278     -7.714341      1.994708
  H      -1.505418     -3.631584      0.918070
  H      -3.116133     -4.355013      0.656172
  H      -0.867512     -5.327985      2.505466
  H      -1.583612     -6.186368      1.110985
  C      -3.338762     -2.125531      2.309676
  C      -3.320083     -1.592455      1.004416
  C      -3.701489     -0.294152      0.701939
  C      -3.738232      0.084864     -0.738127
  O      -3.298708     -0.636490     -1.623220
  C      -4.090588      0.579685      1.765487
  C      -4.420348      2.008413      1.625032
  O      -4.305504      2.687474      0.617136
  C      -4.142046      0.056864      3.045105
  C      -3.818804     -1.282993      3.379708
  C      -4.095465     -1.614189      4.741589
  O      -4.105222     -2.744048      5.326269
  C      -6.295351     -3.955433      2.862676
  C      -6.749360     -3.099275      3.908860
  C      -7.772175     -2.177346      3.765881
  C      -8.029100     -1.358022      4.973834
  O      -8.669816     -0.322742      5.033752
  C      -8.460744     -2.058706      2.519458
  C      -9.611166     -1.169358      2.285377
  O     -10.133121     -1.014512      1.185151
  C      -8.015958     -2.865981      1.476844
  C      -6.948652     -3.771181      1.579767
  C      -6.478232     -4.278122      0.295584
  O      -5.433897     -4.885178      0.059103
  C      -1.887957     -5.450053      6.751592
  C      -0.651609     -5.759752      7.395132
  C      -0.384791     -5.395428      8.699436
  C       0.966600     -5.754992      9.236969
  O       1.904099     -6.044926      8.512810
  C      -1.393386     -4.764578      9.499992
  C      -1.197615     -4.278559     10.870786
  O      -0.134224     -4.184078     11.466145
  C      -2.646747     -4.579196      8.932275
  C      -2.922709     -4.892384      7.589835
  C      -4.277074     -4.926963      7.151642
  O      -4.670663     -5.139923      5.976724
  H      -3.037507     -2.219439      0.161060
  H      -4.205554      1.061050     -0.969070
  H      -4.793065      2.465798      2.575281
  H      -4.473573      0.711180      3.854782
  H      -4.404440     -0.758717      5.363145
  H      -6.283842     -3.216852      4.885673
  H      -7.524765     -1.763681      5.887172
  H     -10.003646     -0.638853      3.176093
  H      -8.509909     -2.748589      0.509047
  H      -7.145969     -3.987577     -0.550034
  H       0.150636     -6.234292      6.831748
  H       1.059540     -5.768609     10.340249
  H      -2.150618     -3.962067     11.363750
  H      -3.451656     -4.167689      9.546605
  H      -5.057951     -4.866254      7.931349
  N      -2.055533     -3.437125      3.862691
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.542377099636
  N      -2.899998     -3.448484      2.524206
  C      -2.314011     -4.194587      1.410520
  C      -1.785076     -5.505208      1.940448
  N      -2.775716     -6.130404      2.862287
  C      -3.964836     -6.631249      2.076499
  C      -5.292177     -6.208054      2.683649
  N      -5.297487     -4.832069      3.155438
  Mo     -3.461684     -4.509167      4.251160
  N      -2.113096     -5.707759      5.452511
  C      -1.292630     -6.672702      4.741002
  C      -2.133908     -7.237542      3.613460
  H      -1.014352     -7.506155      5.406623
  H      -0.355605     -6.220709      4.373758
  H      -2.938245     -7.854432      4.035832
  H      -1.543026     -7.865728      2.926507
  H      -6.053410     -6.370753      1.908404
  H      -5.560330     -6.862534      3.536180
  H      -3.909376     -6.212365      1.070919
  H      -3.897863     -7.725930      2.000050
  H      -1.502837     -3.629854      0.928153
  H      -3.113248     -4.352299      0.670871
  H      -0.859426     -5.337310      2.501388
  H      -1.573453     -6.195967      1.108281
  C      -3.350628     -2.124827      2.322739
  C      -3.343687     -1.600962      1.022111
  C      -3.740589     -0.302065      0.715977
  C      -3.789109      0.077022     -0.720823
  O      -3.349224     -0.637066     -1.614501
  C      -4.132219      0.563597      1.784037
  C      -4.479006      1.993371      1.649914
  O      -4.378452      2.676739      0.644650
  C      -4.169950      0.039939      3.062951
  C      -3.829628     -1.298321      3.392964
  C      -4.098098     -1.640164      4.754401
  O      -4.099126     -2.774821      5.340662
  C      -6.281266     -3.955538      2.858421
  C      -6.719456     -3.077799      3.897310
  C      -7.729076     -2.145165      3.754419
  C      -7.962703     -1.307654      4.955065
  O      -8.591299     -0.264221      5.013212
  C      -8.427284     -2.030320      2.511427
  C      -9.566952     -1.129302      2.274529
  O     -10.099182     -0.979922      1.177296
  C      -7.999600     -2.854078      1.475790
  C      -6.943532     -3.772772      1.575845
  C      -6.487505     -4.291291      0.293200
  O      -5.450222     -4.912923      0.054405
  C      -1.882559     -5.455629      6.748633
  C      -0.654276     -5.767675      7.402291
  C      -0.395765     -5.396038      8.708458
  C       0.949839     -5.760729      9.255480
  O       1.892602     -6.057441      8.539368
  C      -1.407055     -4.758144      9.496205
  C      -1.218812     -4.262807     10.866437
  O      -0.159773     -4.169228     11.469533
  C      -2.656486     -4.573716      8.916729
  C      -2.920402     -4.893936      7.575043
  C      -4.278534     -4.936789      7.131198
  O      -4.673268     -5.159582      5.959579
  H      -3.057177     -2.226113      0.178652
  H      -4.265331      1.050774     -0.943404
  H      -4.849328      2.442126      2.605073
  H      -4.503786      0.688977      3.875587
  H      -4.412800     -0.784318      5.372292
  H      -6.248681     -3.190422      4.870679
  H      -7.450611     -1.709938      5.865796
  H      -9.942462     -0.581400      3.162211
  H      -8.498346     -2.738737      0.510268
  H      -7.154856     -3.994757     -0.550123
  H       0.151452     -6.247609      6.849053
  H       1.033989     -5.770081     10.359595
  H      -2.174604     -3.938361     11.348713
  H      -3.466824     -4.158220      9.520767
  H      -5.054801     -4.870455      7.915473
  N      -2.059745     -3.406531      3.715300
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.546901099459
  N      -2.894132     -3.423420      2.547576
  C      -2.327192     -4.172515      1.417557
  C      -1.782851     -5.481837      1.942128
  N      -2.765343     -6.114913      2.871562
  C      -3.957924     -6.616039      2.090919
  C      -5.278026     -6.197756      2.718282
  N      -5.270692     -4.819560      3.187067
  Mo     -3.437589     -4.500538      4.274885
  N      -2.097220     -5.704173      5.463480
  C      -1.256877     -6.641381      4.736522
  C      -2.106075     -7.218596      3.617565
  H      -0.946651     -7.472400      5.391035
  H      -0.336699     -6.161613      4.360032
  H      -2.899352     -7.844102      4.048857
  H      -1.513767     -7.840808      2.926073
  H      -6.055499     -6.363841      1.958861
  H      -5.528674     -6.850697      3.577786
  H      -3.913533     -6.192246      1.085586
  H      -3.891156     -7.710590      2.007872
  H      -1.529953     -3.600751      0.920185
  H      -3.140078     -4.337890      0.695042
  H      -0.853608     -5.307477      2.495375
  H      -1.573131     -6.170058      1.107363
  C      -3.399740     -2.116563      2.326656
  C      -3.446118     -1.612294      1.021533
  C      -3.875609     -0.322947      0.714424
  C      -3.963608      0.042585     -0.722859
  O      -3.536073     -0.675776     -1.621408
  C      -4.254398      0.545112      1.786859
  C      -4.633858      1.966831      1.651588
  O      -4.577946      2.644085      0.637034
  C      -4.238569      0.037730      3.074371
  C      -3.857972     -1.288578      3.407444
  C      -4.083762     -1.630527      4.778989
  O      -4.069258     -2.771565      5.357156
  C      -6.239948     -3.931540      2.864914
  C      -6.654729     -3.005022      3.868235
  C      -7.646210     -2.056630      3.689659
  C      -7.851416     -1.161309      4.853231
  O      -8.465884     -0.106517      4.870628
  C      -8.346307     -1.978328      2.444417
  C      -9.466943     -1.061883      2.171882
  O     -10.007598     -0.958203      1.072326
  C      -7.939672     -2.854114      1.442285
  C      -6.901746     -3.789363      1.578568
  C      -6.450070     -4.363981      0.317280
  O      -5.429569     -5.025667      0.111242
  C      -1.871955     -5.474845      6.765756
  C      -0.653539     -5.817574      7.420678
  C      -0.395592     -5.464150      8.732503
  C       0.939044     -5.862189      9.283965
  O       1.882020     -6.166899      8.569471
  C      -1.402536     -4.818483      9.522600
  C      -1.213546     -4.335876     10.897406
  O      -0.154979     -4.265834     11.507483
  C      -2.647904     -4.611739      8.941662
  C      -2.910044     -4.912971      7.594658
  C      -4.265715     -4.952350      7.149101
  O      -4.657018     -5.161239      5.970983
  H      -3.163176     -2.237751      0.175960
  H      -4.459634      1.007645     -0.943119
  H      -4.981777      2.417055      2.615489
  H      -4.560333      0.689619      3.891029
  H      -4.403343     -0.783411      5.406034
  H      -6.184455     -3.089743      4.845467
  H      -7.329302     -1.527008      5.774713
  H      -9.820492     -0.459746      3.033736
  H      -8.438203     -2.767470      0.472520
  H      -7.109640     -4.090120     -0.540949
  H       0.147887     -6.304878      6.865707
  H       1.014031     -5.893432     10.388915
  H      -2.166573     -3.995475     11.376108
  H      -3.456107     -4.193547      9.548628
  H      -5.044177     -4.886582      7.931495
  N      -2.027895     -3.409924      3.762973
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.550744755804
  N      -2.867762     -3.403626      2.547544
  C      -2.338639     -4.170404      1.397728
  C      -1.790201     -5.482716      1.920687
  N      -2.763089     -6.112880      2.867670
  C      -3.957101     -6.627271      2.103293
  C      -5.266318     -6.203388      2.750898
  N      -5.244806     -4.814832      3.195409
  Mo     -3.413587     -4.489758      4.269360
  N      -2.090071     -5.681052      5.455482
  C      -1.231392     -6.602622      4.726086
  C      -2.086156     -7.203656      3.621584
  H      -0.891250     -7.423368      5.378093
  H      -0.328659     -6.100298      4.336570
  H      -2.868313     -7.831184      4.070088
  H      -1.492260     -7.828545      2.933770
  H      -6.067506     -6.387550      2.021270
  H      -5.488311     -6.838797      3.631304
  H      -3.928405     -6.216409      1.092384
  H      -3.889666     -7.723079      2.032584
  H      -1.550350     -3.601366      0.883737
  H      -3.169489     -4.334813      0.696689
  H      -0.854146     -5.304928      2.460847
  H      -1.590733     -6.174653      1.086862
  C      -3.398669     -2.098742      2.305196
  C      -3.474182     -1.610799      1.000458
  C      -3.889632     -0.313284      0.696812
  C      -3.982177      0.057864     -0.735745
  O      -3.560855     -0.659552     -1.640591
  C      -4.237072      0.560769      1.775591
  C      -4.604813      1.986548      1.645376
  O      -4.566915      2.660609      0.626462
  C      -4.193647      0.064563      3.068167
  C      -3.814623     -1.262083      3.398629
  C      -4.022390     -1.607434      4.772912
  O      -4.024972     -2.761164      5.330851
  C      -6.217345     -3.927835      2.863464
  C      -6.633210     -3.002229      3.863961
  C      -7.640696     -2.067218      3.693562
  C      -7.833005     -1.163538      4.851857
  O      -8.469247     -0.120280      4.873388
  C      -8.361901     -2.009265      2.460311
  C      -9.498286     -1.108766      2.196224
  O     -10.064964     -1.034987      1.106331
  C      -7.960910     -2.892025      1.461349
  C      -6.905368     -3.810049      1.586437
  C      -6.473012     -4.374428      0.312784
  O      -5.436876     -5.000612      0.073601
  C      -1.876804     -5.465494      6.763988
  C      -0.669229     -5.825326      7.426582
  C      -0.422018     -5.482311      8.743991
  C       0.900250     -5.900091      9.309379
  O       1.850915     -6.205331      8.603666
  C      -1.432512     -4.832412      9.528075
  C      -1.251043     -4.356092     10.905671
  O      -0.195434     -4.302524     11.525289
  C      -2.672062     -4.613888      8.939640
  C      -2.923709     -4.905116      7.587446
  C      -4.273367     -4.944079      7.132161
  O      -4.653088     -5.147384      5.946477
  H      -3.205760     -2.238858      0.151238
  H      -4.455516      1.036085     -0.949278
  H      -4.927187      2.441804      2.616123
  H      -4.491055      0.724443      3.888610
  H      -4.333562     -0.768606      5.413820
  H      -6.159376     -3.082183      4.839510
  H      -7.280269     -1.508785      5.763701
  H      -9.835001     -0.488507      3.052094
  H      -8.477298     -2.822089      0.498907
  H      -7.153861     -4.101900     -0.529466
  H       0.134629     -6.316588      6.877874
  H       0.961295     -5.941701     10.415191
  H      -2.204428     -4.006474     11.377523
  H      -3.482719     -4.193925      9.543189
  H      -5.058385     -4.877451      7.907359
  N      -2.008403     -3.410669      3.752952
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.553637696406
  N      -2.841559     -3.374447      2.562917
  C      -2.353885     -4.152787      1.391833
  C      -1.803719     -5.471136      1.901144
  N      -2.765361     -6.104206      2.862009
  C      -3.961568     -6.627347      2.113346
  C      -5.256667     -6.202243      2.786616
  N      -5.221353     -4.808734      3.217654
  Mo     -3.387921     -4.477396      4.273971
  N      -2.078355     -5.656190      5.449705
  C      -1.211383     -6.567126      4.710896
  C      -2.071001     -7.184432      3.617603
  H      -0.844963     -7.381747      5.355130
  H      -0.325993     -6.044411      4.309746
  H      -2.842698     -7.814314      4.080351
  H      -1.476589     -7.809365      2.930047
  H      -6.083246     -6.395012      2.087720
  H      -5.448381     -6.827158      3.681759
  H      -3.950131     -6.221922      1.099803
  H      -3.892952     -7.723861      2.047279
  H      -1.573924     -3.584507      0.864583
  H      -3.204885     -4.308428      0.715153
  H      -0.859585     -5.296519      2.428075
  H      -1.618085     -6.160769      1.062616
  C      -3.403507     -2.075843      2.312612
  C      -3.531081     -1.610353      1.010107
  C      -3.955289     -0.312183      0.711679
  C      -4.089961      0.048261     -0.716733
  O      -3.725795     -0.693921     -1.628139
  C      -4.257966      0.569830      1.797737
  C      -4.631499      1.995531      1.674911
  O      -4.631685      2.666321      0.652629
  C      -4.165876      0.088509      3.094823
  C      -3.777271     -1.236231      3.420116
  C      -3.960453     -1.589669      4.794405
  O      -3.971611     -2.756671      5.326663
  C      -6.189571     -3.923366      2.866089
  C      -6.593481     -2.967912      3.839935
  C      -7.598196     -2.031849      3.648662
  C      -7.770193     -1.092644      4.780466
  O      -8.404775     -0.047367      4.779348
  C      -8.329277     -2.008788      2.420079
  C      -9.462485     -1.110433      2.134292
  O     -10.045934     -1.083796      1.050594
  C      -7.940767     -2.926883      1.447381
  C      -6.887359     -3.845304      1.592761
  C      -6.467215     -4.445950      0.331207
  O      -5.444379     -5.098378      0.104283
  C      -1.874892     -5.461422      6.765080
  C      -0.674262     -5.834132      7.431137
  C      -0.437241     -5.509221      8.755448
  C       0.875839     -5.943314      9.328826
  O       1.830132     -6.248619      8.627527
  C      -1.451977     -4.864977      9.539586
  C      -1.277071     -4.402446     10.922345
  O      -0.223014     -4.357983     11.546376
  C      -2.687107     -4.636294      8.947039
  C      -2.930315     -4.911087      7.588617
  C      -4.274486     -4.943963      7.125322
  O      -4.645072     -5.137064      5.933449
  H      -3.290459     -2.242969      0.155393
  H      -4.580960      1.018617     -0.925972
  H      -4.913312      2.455317      2.656310
  H      -4.435831      0.755516      3.919551
  H      -4.258829     -0.762686      5.455165
  H      -6.116770     -3.022976      4.816098
  H      -7.200703     -1.408564      5.692944
  H      -9.782276     -0.450815      2.966748
  H      -8.465532     -2.886563      0.487433
  H      -7.167885     -4.217946     -0.508241
  H       0.134231     -6.320693      6.885152
  H       0.923004     -6.011104     10.434121
  H      -2.230570     -4.049762     11.391811
  H      -3.500080     -4.220099      9.550653
  H      -5.065342     -4.881826      7.894461
  N      -1.997367     -3.406366      3.720795
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.555272075771
  N      -2.821344     -3.351502      2.562864
  C      -2.381040     -4.147823      1.379779
  C      -1.827832     -5.469889      1.874887
  N      -2.772090     -6.105205      2.853484
  C      -3.968973     -6.647304      2.124954
  C      -5.252995     -6.213602      2.816107
  N      -5.198944     -4.812404      3.224578
  Mo     -3.371142     -4.466354      4.263457
  N      -2.070238     -5.622664      5.435103
  C      -1.198903     -6.534626      4.696812
  C      -2.058676     -7.169360      3.615634
  H      -0.814019     -7.337804      5.343167
  H      -0.328223     -5.998605      4.282082
  H      -2.821030     -7.797677      4.095485
  H      -1.464675     -7.797504      2.930714
  H      -6.103272     -6.411666      2.147915
  H      -5.417185     -6.820971      3.728749
  H      -3.973552     -6.253568      1.106685
  H      -3.895347     -7.744420      2.072318
  H      -1.608677     -3.587535      0.832881
  H      -3.254397     -4.295485      0.731952
  H      -0.873016     -5.298833      2.383765
  H      -1.661334     -6.157101      1.030806
  C      -3.394381     -2.059503      2.315446
  C      -3.570419     -1.609650      1.015207
  C      -3.989521     -0.307366      0.723804
  C      -4.166602      0.043072     -0.700548
  O      -3.809232     -0.698253     -1.615931
  C      -4.234064      0.588175      1.812981
  C      -4.596046      2.016722      1.693417
  O      -4.633604      2.679782      0.666730
  C      -4.103411      0.118122      3.111638
  C      -3.724103     -1.210427      3.431996
  C      -3.897328     -1.574468      4.801148
  O      -3.922620     -2.756132      5.300673
  C      -6.168477     -3.928958      2.865693
  C      -6.557410     -2.956210      3.825799
  C      -7.566736     -2.024180      3.630714
  C      -7.723034     -1.065387      4.747225
  O      -8.365889     -0.025158      4.738560
  C      -8.317037     -2.029269      2.413917
  C      -9.456112     -1.138574      2.125593
  O     -10.060211     -1.144966      1.053214
  C      -7.941612     -2.967382      1.454742
  C      -6.883080     -3.880256      1.602980
  C      -6.483624     -4.507043      0.346713
  O      -5.443905     -5.125601      0.105244
  C      -1.881516     -5.445428      6.756880
  C      -0.678910     -5.805931      7.424785
  C      -0.458099     -5.501752      8.756762
  C       0.855628     -5.925723      9.334887
  O       1.824387     -6.191315      8.637443
  C      -1.489394     -4.887996      9.543635
  C      -1.330383     -4.445431     10.934554
  O      -0.280227     -4.396378     11.564502
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  C      -2.953542     -4.924777      7.581212
  C      -4.290842     -4.954493      7.104572
  O      -4.646054     -5.130626      5.904495
  H      -3.369229     -2.248506      0.155266
  H      -4.609557      1.036966     -0.905589
  H      -4.839869      2.485283      2.680735
  H      -4.340125      0.794375      3.938823
  H      -4.179002     -0.761656      5.485302
  H      -6.066534     -2.990222      4.796727
  H      -7.137425     -1.361265      5.656039
  H      -9.753020     -0.447827      2.940809
  H      -8.482843     -2.949916      0.503556
  H      -7.190773     -4.282780     -0.488064
  H       0.143795     -6.268437      6.879606
  H       0.896569     -6.007582     10.439292
  H      -2.291951     -4.120523     11.406942
  H      -3.544974     -4.271244      9.550793
  H      -5.092627     -4.907949      7.862947
  N      -1.973091     -3.402620      3.704455
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.556541362344
  N      -2.799033     -3.325819      2.551776
  C      -2.402722     -4.139985      1.368050
  C      -1.840034     -5.459355      1.853831
  N      -2.763732     -6.097274      2.848639
  C      -3.961499     -6.662317      2.140785
  C      -5.238970     -6.218288      2.838280
  N      -5.176643     -4.808136      3.213155
  Mo     -3.355457     -4.446638      4.253436
  N      -2.057532     -5.592269      5.432856
  C      -1.174351     -6.491149      4.690385
  C      -2.029912     -7.142988      3.616904
  H      -0.767275     -7.282685      5.336599
  H      -0.320961     -5.935603      4.265288
  H      -2.782950     -7.774798      4.107134
  H      -1.433091     -7.770031      2.934046
  H      -6.103941     -6.430094      2.195223
  H      -5.380390     -6.802538      3.769391
  H      -3.976725     -6.284645      1.117010
  H      -3.879983     -7.759144      2.107309
  H      -1.642993     -3.591530      0.791605
  H      -3.300067     -4.287484      0.753827
  H      -0.874984     -5.290174      2.344332
  H      -1.691463     -6.144543      1.005171
  C      -3.385278     -2.049272      2.316452
  C      -3.606189     -1.606717      1.017341
  C      -4.016614     -0.300805      0.733255
  C      -4.223925      0.048519     -0.688102
  O      -3.947473     -0.720890     -1.606275
  C      -4.210762      0.606216      1.821479
  C      -4.559601      2.036445      1.699797
  O      -4.621097      2.690209      0.669578
  C      -4.045008      0.144038      3.118469
  C      -3.676189     -1.188179      3.436723
  C      -3.846158     -1.554623      4.803099
  O      -3.890251     -2.741797      5.286255
  C      -6.145536     -3.928450      2.845597
  C      -6.513889     -2.937139      3.794919
  C      -7.530633     -2.012532      3.604682
  C      -7.666300     -1.032443      4.704582
  O      -8.319800     -0.000391      4.691429
  C      -8.310953     -2.047818      2.408471
  C      -9.458854     -1.166269      2.130434
  O     -10.102243     -1.211404      1.083677
  C      -7.956773     -3.004721      1.460693
  C      -6.888438     -3.907530      1.599741
  C      -6.519374     -4.551947      0.343163
  O      -5.483814     -5.164944      0.079155
  C      -1.888752     -5.436429      6.758805
  C      -0.687984     -5.793996      7.432387
  C      -0.481698     -5.512171      8.770669
  C       0.829406     -5.935106      9.354942
  O       1.804300     -6.185227      8.662676
  C      -1.524419     -4.921511      9.558180
  C      -1.379797     -4.500189     10.956951
  O      -0.335092     -4.448337     11.592935
  C      -2.752948     -4.700509      8.952606
  C      -2.971039     -4.936989      7.581160
  C      -4.303169     -4.955650      7.091437
  O      -4.647115     -5.111517      5.886982
  H      -3.435669     -2.248972      0.154503
  H      -4.687327      1.033972     -0.886335
  H      -4.759430      2.519298      2.689299
  H      -4.249487      0.828748      3.946035
  H      -4.115361     -0.747299      5.498349
  H      -6.001623     -2.950065      4.755245
  H      -7.052328     -1.300756      5.602136
  H      -9.728411     -0.450142      2.932588
  H      -8.522203     -3.009707      0.524544
  H      -7.267446     -4.373185     -0.465656
  H       0.144594     -6.238042      6.887699
  H       0.856786     -6.048430     10.456360
  H      -2.345929     -4.189088     11.427441
  H      -3.581919     -4.317969      9.555002
  H      -5.115136     -4.917751      7.839090
  N      -1.948923     -3.399632      3.693361
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.557440483528
  N      -2.791874     -3.305286      2.550548
  C      -2.441055     -4.131795      1.367887
  C      -1.861634     -5.444285      1.843322
  N      -2.759951     -6.084014      2.856629
  C      -3.965969     -6.665519      2.174054
  C      -5.233115     -6.209409      2.879370
  N      -5.167401     -4.792242      3.218593
  Mo     -3.343409     -4.424281      4.263984
  N      -2.037065     -5.573781      5.445668
  C      -1.144506     -6.447040      4.684918
  C      -2.002655     -7.114351      3.621676
  H      -0.707347     -7.229812      5.321916
  H      -0.313547     -5.867542      4.246811
  H      -2.742765     -7.754755      4.121073
  H      -1.405640     -7.736616      2.934950
  H      -6.108135     -6.436532      2.256676
  H      -5.356020     -6.771717      3.826328
  H      -3.993925     -6.302341      1.144873
  H      -3.880404     -7.761685      2.157493
  H      -1.704104     -3.595486      0.751022
  H      -3.365397     -4.284770      0.794765
  H      -0.884912     -5.275938      2.311050
  H      -1.732730     -6.127246      0.989496
  C      -3.399468     -2.046349      2.336947
  C      -3.680732     -1.613281      1.042251
  C      -4.102971     -0.311629      0.764512
  C      -4.372940      0.022357     -0.652524
  O      -4.117973     -0.747820     -1.574066
  C      -4.242996      0.609862      1.848621
  C      -4.593273      2.039045      1.723797
  O      -4.702008      2.678465      0.689870
  C      -4.024148      0.158564      3.140625
  C      -3.652355     -1.173835      3.457660
  C      -3.805227     -1.535567      4.827064
  O      -3.861898     -2.721657      5.312355
  C      -6.124725     -3.914046      2.825390
  C      -6.480897     -2.885970      3.742967
  C      -7.491043     -1.961947      3.525451
  C      -7.618029     -0.944572      4.592591
  O      -8.270895      0.085732      4.550931
  C      -8.278114     -2.033487      2.334826
  C      -9.419849     -1.153202      2.032418
  O     -10.079025     -1.236937      0.999047
  C      -7.936367     -3.024140      1.419032
  C      -6.872768     -3.927820      1.583229
  C      -6.506495     -4.610869      0.347263
  O      -5.474694     -5.236264      0.102804
  C      -1.878952     -5.444799      6.774078
  C      -0.679895     -5.812900      7.447438
  C      -0.477221     -5.556029      8.790400
  C       0.831516     -5.992235      9.371647
  O       1.810894     -6.220576      8.680308
  C      -1.520682     -4.978332      9.584425
  C      -1.379121     -4.579187     10.990365
  O      -0.337367     -4.537813     11.629270
  C      -2.745233     -4.744323      8.976021
  C      -2.959477     -4.956603      7.600548
  C      -4.292791     -4.956176      7.108398
  O      -4.640336     -5.088365      5.905081
  H      -3.544719     -2.262688      0.179101
  H      -4.807689      1.021429     -0.845512
  H      -4.747965      2.535912      2.714168
  H      -4.193473      0.851756      3.968422
  H      -4.057529     -0.723999      5.524040
  H      -5.966740     -2.871093      4.700872
  H      -6.995391     -1.181005      5.492759
  H      -9.665919     -0.394783      2.802377
  H      -8.506224     -3.056562      0.486601
  H      -7.267828     -4.478511     -0.457851
  H       0.154469     -6.245894      6.896750
  H       0.853710     -6.127727     10.470435
  H      -2.346021     -4.276568     11.464266
  H      -3.575895     -4.370057      9.580616
  H      -5.106037     -4.920083      7.855298
  N      -1.933614     -3.397563      3.672546
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.558162565814
  N      -2.797406     -3.302697      2.545036
  C      -2.485863     -4.139947      1.360108
  C      -1.891206     -5.448414      1.826976
  N      -2.765069     -6.088128      2.861394
  C      -3.977304     -6.689164      2.206681
  C      -5.235474     -6.214850      2.918479
  N      -5.159572     -4.789934      3.222738
  Mo     -3.337617     -4.414806      4.261446
  N      -2.018403     -5.548438      5.439439
  C      -1.121021     -6.409540      4.670451
  C      -1.982841     -7.100235      3.625652
  H      -0.656744     -7.178078      5.305080
  H      -0.312385     -5.813883      4.212682
  H      -2.706297     -7.745759      4.142885
  H      -1.386061     -7.722185      2.938088
  H      -6.120686     -6.451187      2.313078
  H      -5.345287     -6.753502      3.880621
  H      -4.020514     -6.345540      1.170320
  H      -3.888982     -7.784867      2.211814
  H      -1.770634     -3.614060      0.709414
  H      -3.429574     -4.298313      0.819135
  H      -0.904570     -5.277219      2.272102
  H      -1.778113     -6.129652      0.968973
  C      -3.401203     -2.039034      2.354928
  C      -3.729366     -1.604497      1.070841
  C      -4.149072     -0.301180      0.803399
  C      -4.479033      0.021094     -0.605027
  O      -4.304330     -0.774335     -1.525246
  C      -4.228546      0.631212      1.886950
  C      -4.563642      2.065630      1.769549
  O      -4.708824      2.703755      0.738520
  C      -3.970527      0.179266      3.170851
  C      -3.615404     -1.160496      3.478536
  C      -3.759447     -1.530083      4.845970
  O      -3.829843     -2.724186      5.318287
  C      -6.112266     -3.910125      2.814631
  C      -6.456101     -2.850540      3.702824
  C      -7.458651     -1.925046      3.462310
  C      -7.576669     -0.878398      4.503043
  O      -8.226275      0.153838      4.440776
  C      -8.253228     -2.026620      2.276942
  C      -9.389993     -1.147294      1.950572
  O     -10.064578     -1.266751      0.929487
  C      -7.924387     -3.047643      1.390824
  C      -6.867816     -3.955132      1.578519
  C      -6.511630     -4.688154      0.368595
  O      -5.468049     -5.301145      0.136799
  C      -1.869266     -5.438806      6.772613
  C      -0.664528     -5.787993      7.446371
  C      -0.475366     -5.553063      8.795680
  C       0.842250     -5.966948      9.374126
  O       1.832541     -6.153644      8.684213
  C      -1.537003     -5.015384      9.593995
  C      -1.412765     -4.640755     11.009178
  O      -0.375147     -4.586890     11.655210
  C      -2.761897     -4.795283      8.980682
  C      -2.962571     -4.985769      7.600693
  C      -4.296445     -4.985163      7.101039
  O      -4.640443     -5.092469      5.894529
  H      -3.638482     -2.260298      0.205667
  H      -4.923440      1.018127     -0.786588
  H      -4.669953      2.568071      2.764156
  H      -4.100640      0.876417      4.003195
  H      -3.985954     -0.721381      5.554605
  H      -5.938056     -2.810516      4.656658
  H      -6.951527     -1.096340      5.406943
  H      -9.618110     -0.354965      2.691605
  H      -8.501540     -3.105992      0.463568
  H      -7.265223     -4.563807     -0.445632
  H       0.183912     -6.188957      6.892367
  H       0.860096     -6.130130     10.469813
  H      -2.390357     -4.373421     11.483752
  H      -3.605239     -4.449450      9.585647
  H      -5.111931     -4.967820      7.846874
  N      -1.910393     -3.387692      3.652601
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.558719531606
  N      -2.780367     -3.294861      2.531198
  C      -2.489541     -4.140372      1.346620
  C      -1.885271     -5.445715      1.812770
  N      -2.745173     -6.086546      2.860366
  C      -3.958629     -6.705586      2.224831
  C      -5.216604     -6.212548      2.929039
  N      -5.137253     -4.781611      3.203579
  Mo     -3.320441     -4.402095      4.250163
  N      -1.998391     -5.523472      5.436797
  C      -1.086702     -6.364582      4.662777
  C      -1.942853     -7.080110      3.628880
  H      -0.594502     -7.118640      5.293057
  H      -0.301877     -5.747615      4.192806
  H      -2.651601     -7.733443      4.156169
  H      -1.338535     -7.698447      2.944266
  H      -6.105895     -6.461310      2.333213
  H      -5.322550     -6.728084      3.903988
  H      -4.004724     -6.387598      1.180814
  H      -3.869561     -7.800764      2.257357
  H      -1.790121     -3.619921      0.674579
  H      -3.442462     -4.306844      0.823793
  H      -0.894869     -5.269796      2.247160
  H      -1.776597     -6.126323      0.953489
  C      -3.395674     -2.033723      2.353174
  C      -3.770179     -1.608272      1.078721
  C      -4.206309     -0.309424      0.818079
  C      -4.603367     -0.001806     -0.576429
  O      -4.472001     -0.805960     -1.496788
  C      -4.242268      0.633302      1.896848
  C      -4.580864      2.067038      1.781078
  O      -4.766325      2.697241      0.750827
  C      -3.941974      0.189760      3.173962
  C      -3.586610     -1.150544      3.478185
  C      -3.716196     -1.521267      4.846327
  O      -3.797382     -2.718606      5.313840
  C      -6.089823     -3.903134      2.793599
  C      -6.392825     -2.812825      3.658861
  C      -7.392150     -1.882958      3.423811
  C      -7.465222     -0.807433      4.439165
  O      -8.111499      0.227496      4.375321
  C      -8.229486     -2.012715      2.270137
  C      -9.368106     -1.131641      1.954017
  O     -10.087086     -1.284680      0.967321
  C      -7.938984     -3.062645      1.404399
  C      -6.881896     -3.972333      1.581228
  C      -6.567712     -4.735145      0.377788
  O      -5.533350     -5.357363      0.124647
  C      -1.868837     -5.434702      6.774458
  C      -0.667325     -5.776042      7.458790
  C      -0.500622     -5.563009      8.814728
  C       0.816281     -5.964750      9.403495
  O       1.821394     -6.115141      8.725292
  C      -1.581678     -5.056361      9.608128
  C      -1.481500     -4.706948     11.031424
  O      -0.451561     -4.647202     11.690637
  C      -2.800719     -4.841617      8.981715
  C      -2.978896     -5.008926      7.595663
  C      -4.307444     -5.004572      7.080693
  O      -4.639863     -5.090803      5.869156
  H      -3.712581     -2.272840      0.216485
  H      -5.036866      1.001782     -0.749478
  H      -4.640200      2.578811      2.775129
  H      -4.044196      0.891597      4.006792
  H      -3.921572     -0.713076      5.561349
  H      -5.840648     -2.748651      4.593123
  H      -6.806773     -1.006193      5.324115
  H      -9.554986     -0.306155      2.670089
  H      -8.546910     -3.142006      0.498233
  H      -7.363413     -4.655516     -0.401460
  H       0.195410     -6.152256      6.909455
  H       0.820176     -6.152621     10.495760
  H      -2.468849     -4.459609     11.497051
  H      -3.657732     -4.518393      9.580505
  H      -5.129254     -5.002761      7.819943
  N      -1.887006     -3.384706      3.631934
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.559112935611
  N      -2.776627     -3.287823      2.522458
  C      -2.507170     -4.139061      1.338058
  C      -1.893301     -5.440312      1.804676
  N      -2.737499     -6.078904      2.867822
  C      -3.957050     -6.707662      2.253301
  C      -5.210076     -6.199708      2.955363
  N      -5.130675     -4.765062      3.203938
  Mo     -3.308257     -4.384591      4.255009
  N      -1.979714     -5.504258      5.446789
  C      -1.060642     -6.324290      4.660003
  C      -1.916611     -7.058687      3.635796
  H      -0.540144     -7.068006      5.279536
  H      -0.299645     -5.687497      4.178323
  H      -2.611419     -7.720477      4.170466
  H      -1.307737     -7.671631      2.950052
  H      -6.102603     -6.463037      2.370637
  H      -5.310223     -6.696210      3.940628
  H      -4.008142     -6.413879      1.202670
  H      -3.870919     -7.802160      2.310449
  H      -1.824768     -3.622025      0.645925
  H      -3.468354     -4.314385      0.833264
  H      -0.898654     -5.259177      2.226768
  H      -1.791285     -6.123698      0.946805
  C      -3.400104     -2.029356      2.357994
  C      -3.816763     -1.614592      1.093666
  C      -4.267445     -0.320684      0.839418
  C      -4.724407     -0.026302     -0.539224
  O      -4.644237     -0.844136     -1.453052
  C      -4.265834      0.630794      1.912401
  C      -4.605831      2.063484      1.796263
  O      -4.840006      2.680703      0.767766
  C      -3.921219      0.198125      3.182329
  C      -3.560375     -1.140876      3.485137
  C      -3.665616     -1.504392      4.857674
  O      -3.765204     -2.698498      5.330931
  C      -6.079373     -3.893877      2.778610
  C      -6.366605     -2.778662      3.615822
  C      -7.360973     -1.847588      3.364782
  C      -7.416201     -0.747323      4.353959
  O      -8.061413      0.287293      4.275329
  C      -8.210922     -2.001442      2.223250
  C      -9.343968     -1.118960      1.893537
  O     -10.077239     -1.296933      0.921367
  C      -7.935103     -3.076198      1.383126
  C      -6.881391     -3.987439      1.573680
  C      -6.573432     -4.768707      0.380914
  O      -5.531586     -5.377217      0.124106
  C      -1.859661     -5.435380      6.785489
  C      -0.662463     -5.789165      7.472437
  C      -0.503639     -5.594612      8.831661
  C       0.808982     -6.006793      9.423124
  O       1.819164     -6.143496      8.749851
  C      -1.588606     -5.096821      9.626521
  C      -1.494743     -4.766365     11.053947
  O      -0.467901     -4.725926     11.720139
  C      -2.803742     -4.871164      8.996910
  C      -2.973732     -5.017688      7.606978
  C      -4.299704     -5.000853      7.089586
  O      -4.632424     -5.072065      5.877131
  H      -3.786990     -2.288615      0.236713
  H      -5.162846      0.977113     -0.702783
  H      -4.630126      2.584094      2.787266
  H      -3.994682      0.906004      4.013396
  H      -3.844597     -0.690562      5.573281
  H      -5.805885     -2.694628      4.544066
  H      -6.749127     -0.929560      5.236217
  H      -9.507000     -0.262907      2.579223
  H      -8.549318     -3.173406      0.482716
  H      -7.368447     -4.692659     -0.399531
  H       0.203056     -6.158086      6.922268
  H       0.803782     -6.217602     10.511301
  H      -2.484598     -4.529847     11.519946
  H      -3.663754     -4.554894      9.595424
  H      -5.120858     -5.003355      7.829695
  N      -1.881359     -3.392024      3.617542
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.559215391414
  N      -2.781651     -3.291551      2.511960
  C      -2.536601     -4.147778      1.324892
  C      -1.914720     -5.446480      1.791322
  N      -2.742122     -6.078895      2.872332
  C      -3.967197     -6.715259      2.279238
  C      -5.214198     -6.190774      2.979199
  N      -5.129464     -4.752990      3.206882
  Mo     -3.302113     -4.371795      4.252804
  N      -1.966484     -5.478530      5.445079
  C      -1.048121     -6.294350      4.653324
  C      -1.905212     -7.045796      3.640660
  H      -0.507918     -7.028091      5.267697
  H      -0.304925     -5.648062      4.157469
  H      -2.587740     -7.711822      4.185387
  H      -1.293421     -7.656442      2.955319
  H      -6.109614     -6.462685      2.403569
  H      -5.311845     -6.671104      3.972603
  H      -4.024373     -6.447720      1.221584
  H      -3.886667     -7.808642      2.362642
  H      -1.868998     -3.632786      0.617196
  H      -3.504762     -4.329233      0.835873
  H      -0.915476     -5.258507      2.198995
  H      -1.821283     -6.135513      0.937200
  C      -3.392051     -2.021585      2.359009
  C      -3.835956     -1.609234      1.105066
  C      -4.282064     -0.312856      0.857774
  C      -4.786713     -0.023051     -0.503871
  O      -4.747658     -0.848809     -1.414196
  C      -4.238016      0.642962      1.927252
  C      -4.561108      2.079430      1.813724
  O      -4.809119      2.695570      0.787220
  C      -3.862742      0.213143      3.190214
  C      -3.513961     -1.130099      3.489442
  C      -3.601818     -1.491512      4.863150
  O      -3.727314     -2.685670      5.332825
  C      -6.081195     -3.889842      2.773737
  C      -6.381017     -2.772285      3.601467
  C      -7.380582     -1.849098      3.339500
  C      -7.450872     -0.747243      4.325246
  O      -8.097726      0.285974      4.236382
  C      -8.222122     -2.013656      2.193375
  C      -9.355707     -1.137556      1.850069
  O     -10.091242     -1.335192      0.882821
  C      -7.934616     -3.092541      1.362015
  C      -6.876730     -3.996373      1.565092
  C      -6.549495     -4.773975      0.375357
  O      -5.508438     -5.394132      0.142064
  C      -1.852249     -5.424015      6.785091
  C      -0.655376     -5.777244      7.472236
  C      -0.504613     -5.597955      8.834491
  C       0.808461     -6.006934      9.426417
  O       1.824465     -6.119301      8.756695
  C      -1.597838     -5.118860      9.631062
  C      -1.512601     -4.807163     11.062605
  O      -0.486009     -4.752613     11.729533
  C      -2.812027     -4.893416      8.999849
  C      -2.974490     -5.023267      7.606596
  C      -4.297887     -5.002404      7.086605
  O      -4.628704     -5.059657      5.871577
  H      -3.838719     -2.290318      0.252824
  H      -5.207267      0.989243     -0.661369
  H      -4.527359      2.609436      2.799474
  H      -3.903159      0.925012      4.020370
  H      -3.746065     -0.676283      5.584716
  H      -5.827631     -2.680165      4.533147
  H      -6.782995     -0.920184      5.208853
  H      -9.528639     -0.279132      2.530703
  H      -8.541242     -3.198229      0.457237
  H      -7.348083     -4.730327     -0.403934
  H       0.215985     -6.132020      6.921617
  H       0.799148     -6.237932     10.510474
  H      -2.504323     -4.569340     11.523883
  H      -3.676724     -4.590366      9.598645
  H      -5.118309     -5.014571      7.827358
  N      -1.870559     -3.396144      3.604319
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.559519243556
  N      -2.777621     -3.291433      2.516035
  C      -2.531992     -4.144836      1.327618
  C      -1.907624     -5.442442      1.792360
  N      -2.732885     -6.075942      2.873205
  C      -3.957953     -6.714113      2.281702
  C      -5.207973     -6.186496      2.974857
  N      -5.124178     -4.748846      3.203257
  Mo     -3.298111     -4.369198      4.252802
  N      -1.961022     -5.470485      5.446647
  C      -1.040824     -6.284293      4.655445
  C      -1.893160     -7.039223      3.641856
  H      -0.497038     -7.016051      5.269061
  H      -0.300914     -5.634617      4.158800
  H      -2.573495     -7.708893      4.185121
  H      -1.276967     -7.646546      2.957724
  H      -6.099728     -6.458567      2.393731
  H      -5.312519     -6.666812      3.967558
  H      -4.011412     -6.454848      1.221616
  H      -3.879849     -7.807007      2.373164
  H      -1.866727     -3.626451      0.620432
  H      -3.500464     -4.328778      0.839897
  H      -0.908781     -5.251267      2.199923
  H      -1.812952     -6.132428      0.939281
  C      -3.398680     -2.024388      2.361038
  C      -3.850347     -1.617771      1.107560
  C      -4.306201     -0.323581      0.860031
  C      -4.823040     -0.037187     -0.497824
  O      -4.797388     -0.866403     -1.405321
  C      -4.261767      0.633588      1.927852
  C      -4.591056      2.068836      1.812886
  O      -4.856262      2.679731      0.787804
  C      -3.878537      0.208329      3.189675
  C      -3.521849     -1.132861      3.490039
  C      -3.598666     -1.492063      4.864501
  O      -3.717921     -2.686021      5.336448
  C      -6.075826     -3.885601      2.771587
  C      -6.357794     -2.754785      3.588321
  C      -7.352722     -1.827156      3.325050
  C      -7.403370     -0.710675      4.295710
  O      -8.048947      0.322840      4.202802
  C      -8.207240     -1.999978      2.189554
  C      -9.336848     -1.118906      1.846739
  O     -10.076206     -1.315131      0.882251
  C      -7.934908     -3.089739      1.367286
  C      -6.882474     -3.999758      1.570935
  C      -6.573086     -4.796955      0.389596
  O      -5.538303     -5.427561      0.155672
  C      -1.850763     -5.423345      6.787519
  C      -0.655447     -5.777562      7.476326
  C      -0.508852     -5.604489      8.839879
  C       0.803211     -6.013787      9.433336
  O       1.821641     -6.119423      8.766155
  C      -1.605167     -5.131426      9.635282
  C      -1.524112     -4.826311     11.068586
  O      -0.500853     -4.785980     11.741366
  C      -2.817739     -4.904733      9.001433
  C      -2.976093     -5.028539      7.606963
  C      -4.298078     -5.007544      7.083327
  O      -4.625644     -5.060306      5.867110
  H      -3.851442     -2.300607      0.257115
  H      -5.253179      0.971523     -0.650950
  H      -4.564259      2.599153      2.798550
  H      -3.917303      0.921703      4.018316
  H      -3.734252     -0.675697      5.586573
  H      -5.789184     -2.652094      4.510001
  H      -6.731435     -0.878843      5.177020
  H      -9.489176     -0.244905      2.512165
  H      -8.550943     -3.201208      0.469795
  H      -7.369959     -4.742785     -0.390424
  H       0.218366     -6.127692      6.926784
  H       0.791101     -6.252015     10.515729
  H      -2.518754     -4.605132     11.531583
  H      -3.684500     -4.605707      9.598907
  H      -5.119936     -5.023348      7.822423
  N      -1.861604     -3.392715      3.595880
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.559540176017
  N      -2.781177     -3.294377      2.519525
  C      -2.527966     -4.142355      1.330243
  C      -1.901168     -5.438322      1.794564
  N      -2.726572     -6.073399      2.872248
  C      -3.950587     -6.713335      2.277885
  C      -5.207526     -6.187703      2.961235
  N      -5.129527     -4.750791      3.197004
  Mo     -3.304677     -4.370916      4.251990
  N      -1.963575     -5.467630      5.449016
  C      -1.039777     -6.277743      4.658378
  C      -1.886218     -7.034189      3.641967
  H      -0.494381     -7.008118      5.272056
  H      -0.300791     -5.625488      4.162825
  H      -2.566149     -7.707902      4.181180
  H      -1.265089     -7.637257      2.958841
  H      -6.092070     -6.459360      2.369073
  H      -5.322326     -6.673525      3.950214
  H      -3.997162     -6.460376      1.215828
  H      -3.873327     -7.805765      2.375054
  H      -1.860499     -3.619012      0.628892
  H      -3.494541     -4.328095      0.839381
  H      -0.903941     -5.243346      2.205109
  H      -1.803067     -6.130158      0.943538
  C      -3.402086     -2.028362      2.361281
  C      -3.846722     -1.620457      1.104599
  C      -4.300991     -0.325138      0.856721
  C      -4.812652     -0.035747     -0.502772
  O      -4.787500     -0.864548     -1.409766
  C      -4.260791      0.630308      1.925395
  C      -4.587005      2.066505      1.810454
  O      -4.838243      2.680962      0.784532
  C      -3.884397      0.203524      3.188446
  C      -3.529687     -1.138213      3.490017
  C      -3.605850     -1.495159      4.864934
  O      -3.722549     -2.687057      5.339890
  C      -6.082839     -3.888926      2.769921
  C      -6.353884     -2.752561      3.583831
  C      -7.350835     -1.825861      3.325537
  C      -7.391196     -0.703044      4.289900
  O      -8.032951      0.331999      4.193776
  C      -8.214535     -2.003417      2.197463
  C      -9.346285     -1.122939      1.860877
  O     -10.105047     -1.332455      0.915025
  C      -7.947155     -3.093765      1.374386
  C      -6.894760     -4.004816      1.573556
  C      -6.591549     -4.806883      0.393857
  O      -5.552160     -5.426017      0.151373
  C      -1.854856     -5.424097      6.789785
  C      -0.660530     -5.782016      7.478520
  C      -0.512341     -5.609051      8.841670
  C       0.798443     -6.022930      9.434565
  O       1.815174     -6.134315      8.766293
  C      -1.606453     -5.132172      9.637151
  C      -1.523483     -4.826333     11.070304
  O      -0.499166     -4.777832     11.739949
  C      -2.818192     -4.901569      9.003524
  C      -2.978502     -5.026314      7.609059
  C      -4.299707     -5.005805      7.085176
  O      -4.625996     -5.060475      5.868926
  H      -3.841374     -2.301767      0.253619
  H      -5.241815      0.972885     -0.656103
  H      -4.563702      2.595918      2.796486
  H      -3.925459      0.916789      4.016668
  H      -3.736708     -0.676991      5.586088
  H      -5.771580     -2.643401      4.496941
  H      -6.704448     -0.861856      5.161230
  H      -9.508281     -0.261366      2.539666
  H      -8.568225     -3.205738      0.480760
  H      -7.375868     -4.725554     -0.396076
  H       0.211916     -6.134718      6.928827
  H       0.785675     -6.265089     10.515906
  H      -2.515282     -4.589054     11.531053
  H      -3.683142     -4.598834      9.601326
  H      -5.122749     -5.019619      7.822848
  N      -1.867550     -3.394049      3.595594
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.559740584335
  N      -2.790692     -3.300765      2.517218
  C      -2.536328     -4.146094      1.326552
  C      -1.906332     -5.440588      1.790748
  N      -2.728287     -6.074599      2.870446
  C      -3.951930     -6.719269      2.278383
  C      -5.213448     -6.193375      2.954630
  N      -5.138672     -4.755951      3.192002
  Mo     -3.314973     -4.372961      4.247184
  N      -1.967836     -5.459956      5.446169
  C      -1.041794     -6.269404      4.656842
  C      -1.884797     -7.030549      3.642195
  H      -0.493510     -6.996027      5.271988
  H      -0.305145     -5.616141      4.158459
  H      -2.562524     -7.706284      4.181946
  H      -1.260562     -7.631551      2.960195
  H      -6.093409     -6.465606      2.356201
  H      -5.334312     -6.680850      3.942226
  H      -3.995581     -6.475879      1.213818
  H      -3.874436     -7.810877      2.384516
  H      -1.867749     -3.619955      0.628395
  H      -3.502672     -4.332632      0.835740
  H      -0.909124     -5.241472      2.199911
  H      -1.808293     -6.135712      0.942528
  C      -3.396558     -2.028698      2.358422
  C      -3.831908     -1.614183      1.100317
  C      -4.270998     -0.313472      0.853709
  C      -4.775180     -0.017202     -0.507129
  O      -4.757103     -0.846858     -1.413190
  C      -4.223297      0.639698      1.923625
  C      -4.531832      2.080144      1.810311
  O      -4.772909      2.699973      0.785382
  C      -3.856725      0.206822      3.187530
  C      -3.517183     -1.139245      3.488485
  C      -3.598059     -1.496367      4.862900
  O      -3.722883     -2.687577      5.335639
  C      -6.096162     -3.896766      2.769594
  C      -6.371674     -2.765616      3.589807
  C      -7.377446     -1.846271      3.339302
  C      -7.424830     -0.728510      4.309630
  O      -8.082551      0.297155      4.224450
  C      -8.242275     -2.025673      2.212176
  C      -9.384118     -1.154589      1.884788
  O     -10.124617     -1.347530      0.921401
  C      -7.965089     -3.106155      1.379488
  C      -6.905421     -4.010219      1.571844
  C      -6.592291     -4.800332      0.386439
  O      -5.552133     -5.418732      0.146440
  C      -1.859420     -5.417606      6.787014
  C      -0.663803     -5.773308      7.474809
  C      -0.513868     -5.599042      8.837403
  C       0.798025     -6.010576      9.429229
  O       1.814801     -6.117758      8.760532
  C      -1.607307     -5.121929      9.633490
  C      -1.521986     -4.813215     11.065990
  O      -0.498159     -4.775492     11.736592
  C      -2.819764     -4.892948      9.001368
  C      -2.982722     -5.019962      7.607019
  C      -4.303271     -5.001970      7.083619
  O      -4.628223     -5.059155      5.866886
  H      -3.830426     -2.293695      0.248255
  H      -5.194114      0.995293     -0.661650
  H      -4.515971      2.605495      2.798626
  H      -3.892657      0.919663      4.016259
  H      -3.720212     -0.678434      5.585898
  H      -5.785912     -2.656049      4.501020
  H      -6.740298     -0.888668      5.182401
  H      -9.541600     -0.288202      2.558253
  H      -8.585021     -3.215787      0.484887
  H      -7.376759     -4.722589     -0.403665
  H       0.208642     -6.125170      6.924796
  H       0.788158     -6.248823     10.511446
  H      -2.514363     -4.588126     11.531557
  H      -3.683501     -4.588991      9.600247
  H      -5.127601     -5.015107      7.819651
  N      -1.874999     -3.397732      3.597454
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.559824846716
  N      -2.792923     -3.299194      2.517852
  C      -2.554788     -4.146357      1.324231
  C      -1.918933     -5.439808      1.783203
  N      -2.729150     -6.072620      2.873340
  C      -3.955483     -6.725814      2.296337
  C      -5.213370     -6.191260      2.973503
  N      -5.134668     -4.751548      3.193464
  Mo     -3.312065     -4.367471      4.248768
  N      -1.960032     -5.446699      5.446831
  C      -1.031378     -6.247984      4.651635
  C      -1.874407     -7.019640      3.644068
  H      -0.469993     -6.967898      5.262358
  H      -0.307110     -5.586728      4.146473
  H      -2.543569     -7.698534      4.190146
  H      -1.248973     -7.618613      2.961111
  H      -6.096603     -6.469024      2.382968
  H      -5.329110     -6.666913      3.967419
  H      -4.005100     -6.497364      1.228737
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  C      -4.826138     -0.023367     -0.481546
  O      -4.822785     -0.855707     -1.385686
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  C      -4.538228      2.081691      1.823942
  O      -4.800307      2.697170      0.801471
  C      -3.843949      0.211439      3.196482
  C      -3.503078     -1.134812      3.495260
  C      -3.569727     -1.491795      4.870535
  O      -3.700705     -2.684083      5.341338
  C      -6.087557     -3.892371      2.760704
  C      -6.354567     -2.748135      3.565629
  C      -7.357094     -1.828187      3.305966
  C      -7.396469     -0.697772      4.261859
  O      -8.054608      0.327093      4.169231
  C      -8.228091     -2.020320      2.185421
  C      -9.369251     -1.150686      1.851477
  O     -10.122862     -1.361865      0.901912
  C      -7.957357     -3.112027      1.365736
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  C      -6.586306     -4.815401      0.386488
  O      -5.551069     -5.445952      0.156352
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  C      -0.515079     -5.606817      8.841874
  C       0.796923     -6.016862      9.434305
  O       1.816705     -6.112905      8.768266
  C      -1.612956     -5.140171      9.638391
  C      -1.532210     -4.841467     11.073278
  O      -0.510324     -4.810744     11.747455
  C      -2.824075     -4.910669      9.004521
  C      -2.982577     -5.027281      7.608679
  C      -4.302218     -5.005267      7.082589
  O      -4.625146     -5.054557      5.864726
  H      -3.874830     -2.299153      0.264897
  H      -5.241165      0.991319     -0.634197
  H      -4.508365      2.609941      2.810474
  H      -3.865393      0.926656      4.023841
  H      -3.677919     -0.674582      5.596258
  H      -5.766434     -2.629400      4.473535
  H      -6.704837     -0.847135      5.131002
  H      -9.524755     -0.278105      2.517546
  H      -8.579954     -3.230154      0.473913
  H      -7.379242     -4.759102     -0.397160
  H       0.216176     -6.113752      6.928093
  H       0.784369     -6.265828     10.514175
  H      -2.527059     -4.628779     11.539532
  H      -3.690626     -4.613746      9.603060
  H      -5.128315     -5.022391      7.816496
  N      -1.867902     -3.401070      3.591021
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.559825492330
  N      -2.794084     -3.298338      2.518709
  C      -2.561796     -4.144822      1.322598
  C      -1.922989     -5.437514      1.779125
  N      -2.727779     -6.069695      2.873951
  C      -3.954892     -6.727716      2.303601
  C      -5.212353     -6.189656      2.979285
  N      -5.134237     -4.749269      3.192022
  Mo     -3.312815     -4.364458      4.249147
  N      -1.955905     -5.438325      5.447699
  C      -1.025015     -6.233357      4.648731
  C      -1.867275     -7.011317      3.644845
  H      -0.455819     -6.949458      5.256507
  H      -0.308107     -5.566903      4.140659
  H      -2.531702     -7.692363      4.193706
  H      -1.240450     -7.608869      2.961726
  H      -6.095615     -6.470479      2.390285
  H      -5.327017     -6.660425      3.975469
  H      -4.005972     -6.507650      1.234296
  H      -3.875612     -7.816582      2.432997
  H      -1.906754     -3.619172      0.611533
  H      -3.537887     -4.332977      0.852261
  H      -0.920320     -5.235696      2.172451
  H      -1.835803     -6.133790      0.930805
  C      -3.404059     -2.025781      2.368421
  C      -3.870948     -1.615790      1.121491
  C      -4.311626     -0.314765      0.881337
  C      -4.844897     -0.021519     -0.469404
  O      -4.846091     -0.852996     -1.374367
  C      -4.234576      0.642406      1.945692
  C      -4.542433      2.083185      1.832717
  O      -4.794408      2.700525      0.808912
  C      -3.837425      0.213850      3.201951
  C      -3.495361     -1.132408      3.498680
  C      -3.551940     -1.488867      4.875133
  O      -3.685274     -2.680917      5.346915
  C      -6.085598     -3.891174      2.755325
  C      -6.347797     -2.739627      3.551828
  C      -7.352197     -1.822781      3.289884
  C      -7.387233     -0.684577      4.236608
  O      -8.048526      0.337953      4.140855
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  C      -9.375993     -1.161377      1.843803
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  C      -6.591471     -4.830759      0.391182
  O      -5.555692     -5.461359      0.163371
  C      -1.853627     -5.414124      6.789431
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  C      -0.517327     -5.616484      8.844970
  C       0.793101     -6.030932      9.437708
  O       1.814516     -6.123289      8.773602
  C      -1.616620     -5.152802      9.641675
  C      -1.538461     -4.860970     11.078141
  O      -0.515507     -4.813531     11.749754
  C      -2.825931     -4.919200      9.006372
  C      -2.981980     -5.029391      7.609784
  C      -4.300884     -5.003202      7.082023
  O      -4.622778     -5.049156      5.863538
  H      -3.895749     -2.299361      0.272532
  H      -5.259406      0.993917     -0.619938
  H      -4.488480      2.615897      2.815837
  H      -3.852307      0.929844      4.028840
  H      -3.650851     -0.671163      5.601443
  H      -5.755272     -2.613539      4.455532
  H      -6.683006     -0.821904      5.097553
  H      -9.520190     -0.275886      2.495387
  H      -8.590104     -3.248344      0.476031
  H      -7.386358     -4.780545     -0.391042
  H       0.217770     -6.114377      6.930987
  H       0.778031     -6.286000     10.516105
  H      -2.531385     -4.627404     11.538483
  H      -3.693462     -4.624106      9.604475
  H      -5.128658     -5.019620      7.813927
  N      -1.866473     -3.405722      3.585823
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.559925305417
  N      -2.794538     -3.301695      2.515786
  C      -2.552871     -4.146351      1.319877
  C      -1.917234     -5.439341      1.780267
  N      -2.727737     -6.070197      2.870962
  C      -3.953001     -6.725908      2.293197
  C      -5.214281     -6.191733      2.964911
  N      -5.140101     -4.752451      3.186844
  Mo     -3.319612     -4.366972      4.244416
  N      -1.961188     -5.439257      5.445459
  C      -1.030908     -6.238634      4.650423
  C      -1.872554     -7.013977      3.644749
  H      -0.467417     -6.956659      5.261471
  H      -0.308446     -5.576310      4.144719
  H      -2.540802     -7.692958      4.191631
  H      -1.245650     -7.613402      2.963429
  H      -6.093791     -6.469945      2.368687
  H      -5.334107     -6.668733      3.957386
  H      -3.999341     -6.501690      1.224457
  H      -3.873723     -7.815185      2.418935
  H      -1.891090     -3.619854      0.615823
  H      -3.525363     -4.333239      0.841986
  H      -0.916354     -5.238078      2.178628
  H      -1.826590     -6.136671      0.933238
  C      -3.394802     -2.025022      2.360856
  C      -3.844226     -1.608404      1.109364
  C      -4.274461     -0.303933      0.867827
  C      -4.787036     -0.002691     -0.489409
  O      -4.776806     -0.829305     -1.398476
  C      -4.206614      0.649346      1.935761
  C      -4.507228      2.091698      1.823362
  O      -4.747643      2.712420      0.798931
  C      -3.826070      0.215172      3.195194
  C      -3.491651     -1.132805      3.491824
  C      -3.556006     -1.489257      4.868456
  O      -3.689664     -2.679979      5.341821
  C      -6.095899     -3.895583      2.758497
  C      -6.364985     -2.752988      3.565796
  C      -7.377749     -1.842485      3.313912
  C      -7.420822     -0.712585      4.270230
  O      -8.091772      0.304444      4.184540
  C      -8.255197     -2.041752      2.199290
  C      -9.408710     -1.184192      1.876773
  O     -10.167201     -1.400406      0.932318
  C      -7.980924     -3.129805      1.376380
  C      -6.914286     -4.025478      1.569216
  C      -6.600289     -4.825060      0.391665
  O      -5.561050     -5.448369      0.159846
  C      -1.857558     -5.409716      6.786478
  C      -0.664534     -5.771085      7.477159
  C      -0.519979     -5.609095      8.841621
  C       0.789320     -6.026385      9.434717
  O       1.809033     -6.128314      8.769496
  C      -1.616700     -5.137881      9.637549
  C      -1.536159     -4.840155     11.072716
  O      -0.513779     -4.803703     11.745722
  C      -2.825781     -4.902864      9.002479
  C      -2.983761     -5.018602      7.606607
  C      -4.302444     -4.993201      7.079404
  O      -4.624499     -5.045381      5.860976
  H      -3.862453     -2.288570      0.257663
  H      -5.197935      1.013963     -0.640882
  H      -4.474359      2.619350      2.810092
  H      -3.846981      0.929275      4.023492
  H      -3.656787     -0.670549      5.593472
  H      -5.770702     -2.629673      4.469140
  H      -6.714519     -0.851242      5.129182
  H      -9.569339     -0.315835      2.547253
  H      -8.609139     -3.252830      0.489150
  H      -7.393043     -4.769264     -0.392331
  H       0.211075     -6.118187      6.929226
  H       0.774753     -6.275198     10.514524
  H      -2.529007     -4.610762     11.535240
  H      -3.691662     -4.602475      9.600255
  H      -5.130827     -5.003981      7.810570
  N      -1.872424     -3.407964      3.586809
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.559947035114
  N      -2.799068     -3.302046      2.516811
  C      -2.561237     -4.146792      1.320196
  C      -1.922882     -5.439255      1.778773
  N      -2.729616     -6.071351      2.871719
  C      -3.954771     -6.730251      2.296380
  C      -5.215586     -6.197169      2.970301
  N      -5.141782     -4.757212      3.188341
  Mo     -3.322860     -4.369185      4.245515
  N      -1.960295     -5.439177      5.445951
  C      -1.029264     -6.236174      4.649279
  C      -1.871173     -7.013107      3.644685
  H      -0.463659     -6.953290      5.259495
  H      -0.308745     -5.572053      4.142945
  H      -2.537378     -7.692894      4.193215
  H      -1.244768     -7.612128      2.962549
  H      -6.096248     -6.477489      2.376845
  H      -5.332113     -6.671977      3.964322
  H      -4.003960     -6.505497      1.227857
  H      -3.872719     -7.819346      2.421761
  H      -1.902262     -3.620388      0.613432
  H      -3.535410     -4.334280      0.845694
  H      -0.920794     -5.237689      2.174018
  H      -1.834149     -6.135823      0.930817
  C      -3.399024     -2.025708      2.364230
  C      -3.850667     -1.608287      1.113797
  C      -4.281303     -0.303997      0.873380
  C      -4.795451     -0.003577     -0.483531
  O      -4.784170     -0.830210     -1.392542
  C      -4.212129      0.649402      1.941466
  C      -4.513268      2.091708      1.830376
  O      -4.760631      2.712200      0.807365
  C      -3.830588      0.214135      3.200347
  C      -3.495718     -1.133820      3.495535
  C      -3.559593     -1.491478      4.872026
  O      -3.692272     -2.682450      5.344840
  C      -6.095427     -3.899333      2.757339
  C      -6.358239     -2.751866      3.559880
  C      -7.367200     -1.838017      3.305044
  C      -7.405143     -0.704447      4.257311
  O      -8.071833      0.315168      4.168528
  C      -8.246353     -2.037953      2.191689
  C      -9.396362     -1.176727      1.866249
  O     -10.155554     -1.392954      0.922308
  C      -7.976219     -3.129379      1.371745
  C      -6.912729     -4.028279      1.567024
  C      -6.598395     -4.828745      0.389921
  O      -5.557776     -5.449562      0.157186
  C      -1.856418     -5.409990      6.786761
  C      -0.662656     -5.769617      7.477332
  C      -0.518107     -5.607871      8.841794
  C       0.792008     -6.023445      9.434396
  O       1.811343     -6.125664      8.768562
  C      -1.615486     -5.138625      9.638315
  C      -1.535445     -4.841597     11.073631
  O      -0.513338     -4.805771     11.747188
  C      -2.824928     -4.904920      9.003414
  C      -2.982850     -5.020476      7.607549
  C      -4.301597     -4.995677      7.080919
  O      -4.624218     -5.048207      5.862425
  H      -3.869856     -2.287808      0.261474
  H      -5.209283      1.011864     -0.634407
  H      -4.487425      2.617099      2.818597
  H      -3.851211      0.927610      4.029254
  H      -3.660663     -0.673140      5.597511
  H      -5.761730     -2.626654      4.461905
  H      -6.696987     -0.841935      5.115046
  H      -9.552674     -0.304754      2.532990
  H      -8.604259     -3.251938      0.484289
  H      -7.390863     -4.772715     -0.394452
  H       0.213530     -6.115117      6.929175
  H       0.778040     -6.271857     10.514353
  H      -2.528982     -4.615665     11.536492
  H      -3.691265     -4.605888      9.601293
  H      -5.129949     -5.006410      7.812138
  N      -1.875926     -3.408663      3.588677
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.559950626323
  N      -2.800430     -3.301018      2.516648
  C      -2.565353     -4.146209      1.319584
  C      -1.926025     -5.438582      1.777462
  N      -2.730838     -6.071254      2.871794
  C      -3.955595     -6.732229      2.297570
  C      -5.215515     -6.200268      2.974028
  N      -5.142057     -4.759884      3.188940
  Mo     -3.324832     -4.369675      4.245565
  N      -1.958408     -5.437670      5.445948
  C      -1.027463     -6.233202      4.647825
  C      -1.870382     -7.011438      3.644588
  H      -0.460283     -6.949937      5.257086
  H      -0.308502     -5.567820      4.140946
  H      -2.535282     -7.690987      4.195064
  H      -1.244990     -7.611150      2.962124
  H      -6.097650     -6.482392      2.383624
  H      -5.328428     -6.673055      3.969445
  H      -4.007248     -6.505408      1.229635
  H      -3.871214     -7.821294      2.421380
  H      -1.908105     -3.620368      0.610803
  H      -3.540631     -4.333829      0.847294
  H      -0.923036     -5.237655      2.170738
  H      -1.838698     -6.134291      0.928595
  C      -3.401085     -2.025016      2.365612
  C      -3.854753     -1.607081      1.116260
  C      -4.285676     -0.302820      0.876658
  C      -4.800608     -0.002615     -0.480069
  O      -4.786239     -0.828011     -1.390146
  C      -4.215800      0.650544      1.944935
  C      -4.518633      2.092443      1.834827
  O      -4.759412      2.714607      0.811192
  C      -3.832313      0.214636      3.203198
  C      -3.496496     -1.133047      3.496997
  C      -3.557731     -1.491301      4.873827
  O      -3.689843     -2.682074      5.347163
  C      -6.094367     -3.901561      2.756188
  C      -6.353405     -2.750704      3.555078
  C      -7.360679     -1.835521      3.298490
  C      -7.395239     -0.699004      4.247291
  O      -8.066824      0.317707      4.161432
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  C      -9.390429     -1.174436      1.860113
  O     -10.152519     -1.393471      0.919087
  C      -7.975455     -3.131947      1.370303
  C      -6.913255     -4.032036      1.566910
  C      -6.600809     -4.835529      0.391364
  O      -5.559726     -5.455445      0.157898
  C      -1.854924     -5.409134      6.786402
  C      -0.661572     -5.769140      7.477769
  C      -0.517958     -5.608183      8.842377
  C       0.791767     -6.024223      9.435500
  O       1.811677     -6.126139      8.770435
  C      -1.615926     -5.139458      9.638815
  C      -1.537109     -4.843672     11.074364
  O      -0.516217     -4.814415     11.750215
  C      -2.824922     -4.905243      9.003260
  C      -2.981759     -5.019930      7.607190
  C      -4.300127     -4.993955      7.080453
  O      -4.622985     -5.047035      5.861626
  H      -3.875068     -2.286037      0.263371
  H      -5.218350      1.011402     -0.629589
  H      -4.483632      2.618966      2.822183
  H      -3.852302      0.927671      4.032522
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  H      -5.755229     -2.623298      4.455805
  H      -6.691209     -0.838540      5.108157
  H      -9.543932     -0.299875      2.524088
  H      -8.604903     -3.256068      0.484041
  H      -7.395043     -4.782280     -0.391466
  H       0.215142     -6.114280      6.930136
  H       0.777814     -6.268865     10.516342
  H      -2.531840     -4.623781     11.537587
  H      -3.691797     -4.606624      9.600579
  H      -5.128779     -5.003094      7.811285
  N      -1.877001     -3.410102      3.587889
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.559975970704
  N      -2.797415     -3.299849      2.515278
  C      -2.561370     -4.145411      1.318294
  C      -1.923918     -5.438386      1.777396
  N      -2.730689     -6.070581      2.870752
  C      -3.954627     -6.730856      2.294448
  C      -5.214157     -6.200109      2.972138
  N      -5.141028     -4.759884      3.187925
  Mo     -3.324976     -4.369079      4.243899
  N      -1.957167     -5.436313      5.444927
  C      -1.027393     -6.233184      4.647132
  C      -1.871509     -7.011063      3.644432
  H      -0.461171     -6.950718      5.256399
  H      -0.307709     -5.568607      4.140438
  H      -2.537255     -7.689016      4.195820
  H      -1.247165     -7.612533      2.962568
  H      -6.096987     -6.482214      2.382666
  H      -5.325667     -6.673119      3.967524
  H      -4.006509     -6.500489      1.227345
  H      -3.869684     -7.820190      2.415284
  H      -1.902870     -3.620185      0.610257
  H      -3.536000     -4.332363      0.844553
  H      -0.921130     -5.238769      2.171746
  H      -1.836149     -6.133650      0.928229
  C      -3.398007     -2.023264      2.363646
  C      -3.849987     -1.604488      1.114213
  C      -4.279737     -0.299648      0.874640
  C      -4.791865      0.002338     -0.482706
  O      -4.772868     -0.820484     -1.395049
  C      -4.211113      0.652918      1.943566
  C      -4.513677      2.094711      1.833410
  O      -4.757596      2.715824      0.809854
  C      -3.828374      0.216317      3.201973
  C      -3.492540     -1.131253      3.495060
  C      -3.551771     -1.489522      4.872358
  O      -3.684372     -2.679783      5.346640
  C      -6.094387     -3.901923      2.756829
  C      -6.355689     -2.752893      3.557428
  C      -7.365426     -1.839751      3.303003
  C      -7.402468     -0.705190      4.253840
  O      -8.073462      0.311970      4.168171
  C      -8.247717     -2.042023      2.192438
  C      -9.398051     -1.181232      1.867463
  O     -10.159546     -1.400064      0.925847
  C      -7.980665     -3.136314      1.375177
  C      -6.916412     -4.034301      1.569848
  C      -6.606439     -4.839382      0.394929
  O      -5.566045     -5.460333      0.160952
  C      -1.854455     -5.407614      6.785041
  C      -0.662516     -5.769733      7.477795
  C      -0.520197     -5.608970      8.842542
  C       0.788191     -6.027174      9.436940
  O       1.807679     -6.134908      8.772086
  C      -1.618397     -5.138618      9.638067
  C      -1.541262     -4.843696     11.073796
  O      -0.520867     -4.811901     11.750395
  C      -2.826339     -4.902440      9.001244
  C      -2.981719     -5.016892      7.604920
  C      -4.299340     -4.989066      7.077313
  O      -4.621735     -5.043204      5.857940
  H      -3.869990     -2.282771      0.260741
  H      -5.211786      1.015769     -0.630702
  H      -4.484332      2.620261      2.821416
  H      -3.848502      0.929003      4.031555
  H      -3.649510     -0.670354      5.597457
  H      -5.757753     -2.625370      4.458079
  H      -6.691883     -0.841212      5.109829
  H      -9.550332     -0.305387      2.530012
  H      -8.612098     -3.262220      0.490595
  H      -7.403830     -4.790542     -0.384920
  H       0.214293     -6.116456      6.931315
  H       0.772584     -6.271447     10.517801
  H      -2.535835     -4.617493     11.534216
  H      -3.693500     -4.602682      9.597492
  H      -5.128553     -4.995624      7.807387
  N      -1.875235     -3.411504      3.585701
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.559979821930
  N      -2.796725     -3.299705      2.515082
  C      -2.560096     -4.145370      1.318578
  C      -1.922806     -5.438304      1.778039
  N      -2.730278     -6.070518      2.870684
  C      -3.953974     -6.730242      2.293257
  C      -5.213857     -6.200602      2.971166
  N      -5.141114     -4.760340      3.188128
  Mo     -3.325236     -4.369381      4.243759
  N      -1.957021     -5.436868      5.445044
  C      -1.027652     -6.234253      4.647505
  C      -1.871834     -7.011490      3.644446
  H      -0.461989     -6.952232      5.256802
  H      -0.307420     -5.570092      4.140966
  H      -2.538167     -7.689139      4.195568
  H      -1.247560     -7.613173      2.962715
  H      -6.096614     -6.482777      2.381623
  H      -5.325448     -6.674408      3.966203
  H      -4.005715     -6.498332      1.226460
  H      -3.868973     -7.819784      2.412416
  H      -1.901300     -3.620145      0.610758
  H      -3.534259     -4.332513      0.843901
  H      -0.920356     -5.238404      2.173055
  H      -1.834438     -6.133752      0.929066
  C      -3.397541     -2.023297      2.363382
  C      -3.849028     -1.604987      1.113527
  C      -4.279893     -0.300479      0.873797
  C      -4.793279      0.000976     -0.483134
  O      -4.774467     -0.822124     -1.395217
  C      -4.211816      0.652108      1.942697
  C      -4.514320      2.093871      1.832262
  O      -4.759779      2.714419      0.808713
  C      -3.829149      0.215881      3.201283
  C      -3.492858     -1.131549      3.494795
  C      -3.552410     -1.489466      4.872132
  O      -3.685532     -2.679250      5.346844
  C      -6.094897     -3.902424      2.757688
  C      -6.356476     -2.754054      3.559057
  C      -7.365715     -1.840209      3.304779
  C      -7.403032     -0.706574      4.256756
  O      -8.073945      0.310685      4.171739
  C      -8.247148     -2.041129      2.193360
  C      -9.396198     -1.178934      1.867544
  O     -10.157236     -1.396935      0.925359
  C      -7.979870     -3.134951      1.375422
  C      -6.916241     -4.033671      1.570085
  C      -6.606335     -4.837847      0.394377
  O      -5.565873     -5.458378      0.159680
  C      -1.854507     -5.408134      6.785083
  C      -0.662965     -5.771355      7.477853
  C      -0.520442     -5.610072      8.842490
  C       0.787626     -6.029213      9.437049
  O       1.807348     -6.136514      8.772461
  C      -1.618198     -5.138254      9.637842
  C      -1.541180     -4.842790     11.073505
  O      -0.520830     -4.809074     11.750056
  C      -2.825991     -4.901306      9.001018
  C      -2.981648     -5.016287      7.604616
  C      -4.299022     -4.988439      7.076987
  O      -4.621343     -5.043246      5.857450
  H      -3.868013     -2.283472      0.260251
  H      -5.215109      1.013709     -0.630568
  H      -4.486592      2.619392      2.820334
  H      -3.849535      0.928689      4.030763
  H      -3.649584     -0.669897      5.596932
  H      -5.759017     -2.627355      4.460220
  H      -6.694645     -0.844576      5.114271
  H      -9.548637     -0.303534      2.530654
  H      -8.610530     -3.259755      0.490138
  H      -7.402977     -4.787193     -0.386096
  H       0.213366     -6.119266      6.931332
  H       0.772644     -6.269938     10.518700
  H      -2.535456     -4.613042     11.532875
  H      -3.692822     -4.600478      9.597210
  H      -5.128163     -4.994381      7.807117
  N      -1.875889     -3.410659      3.586341
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.559979972893
  N      -2.795600     -3.298884      2.514645
  C      -2.557809     -4.144971      1.319427
  C      -1.920459     -5.437609      1.779657
  N      -2.729066     -6.069929      2.871032
  C      -3.952183     -6.728916      2.291654
  C      -5.212787     -6.201724      2.970138
  N      -5.140923     -4.761291      3.189071
  Mo     -3.325610     -4.369469      4.243682
  N      -1.956047     -5.436896      5.445534
  C      -1.027501     -6.235209      4.648417
  C      -1.871813     -7.011564      3.644977
  H      -0.462490     -6.953770      5.257658
  H      -0.306603     -5.571743      4.141743
  H      -2.539104     -7.688611      4.195825
  H      -1.247628     -7.613657      2.963548
  H      -6.095514     -6.484368      2.380822
  H      -5.324250     -6.676891      3.964626
  H      -4.003951     -6.494018      1.225467
  H      -3.866816     -7.818848      2.407424
  H      -1.898752     -3.619798      0.611674
  H      -3.531057     -4.332871      0.843038
  H      -0.918730     -5.236697      2.175892
  H      -1.830777     -6.133573      0.931217
  C      -3.397737     -2.023298      2.363017
  C      -3.849544     -1.606635      1.112491
  C      -4.283720     -0.303169      0.872451
  C      -4.801802     -0.003715     -0.483022
  O      -4.782291     -0.827149     -1.394750
  C      -4.216028      0.649887      1.940877
  C      -4.519073      2.091445      1.829652
  O      -4.763790      2.711391      0.805528
  C      -3.832133      0.215085      3.199604
  C      -3.494357     -1.131902      3.494259
  C      -3.553817     -1.488753      4.871755
  O      -3.687925     -2.677432      5.347560
  C      -6.095641     -3.903632      2.759697
  C      -6.357767     -2.756400      3.562316
  C      -7.365742     -1.840952      3.307971
  C      -7.403796     -0.709223      4.262291
  O      -8.069970      0.310944      4.175276
  C      -8.245146     -2.039181      2.194622
  C      -9.391190     -1.173871      1.866416
  O     -10.150255     -1.389511      0.922090
  C      -7.977389     -3.132283      1.375627
  C      -6.915277     -4.032695      1.570670
  C      -6.605414     -4.835132      0.393417
  O      -5.564516     -5.454200      0.157053
  C      -1.854164     -5.408427      6.785481
  C      -0.663429     -5.773739      7.478378
  C      -0.520612     -5.611325      8.842783
  C       0.787047     -6.031384      9.437785
  O       1.804645     -6.147918      8.771453
  C      -1.617601     -5.136713      9.637663
  C      -1.541015     -4.839947     11.073188
  O      -0.521701     -4.808966     11.751347
  C      -2.825047     -4.898387      9.000767
  C      -2.981221     -5.014437      7.604157
  C      -4.298000     -4.986730      7.076351
  O      -4.619999     -5.043026      5.856419
  H      -3.866845     -2.285918      0.259958
  H      -5.226643      1.007878     -0.629677
  H      -4.488292      2.618335      2.816898
  H      -3.852525      0.928428      4.028635
  H      -3.649124     -0.668190      5.595844
  H      -5.761471     -2.631319      4.464642
  H      -6.695410     -0.848432      5.119641
  H      -9.542927     -0.298197      2.529315
  H      -8.606215     -3.254839      0.488751
  H      -7.400149     -4.780297     -0.388637
  H       0.212040     -6.123749      6.931806
  H       0.771494     -6.272971     10.519206
  H      -2.535594     -4.609679     11.531770
  H      -3.691250     -4.595448      9.596793
  H      -5.127070     -4.991555      7.806490
  N      -1.877107     -3.407942      3.587792
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.559984942573
  N      -2.795203     -3.298747      2.514398
  C      -2.557885     -4.144948      1.318987
  C      -1.920829     -5.437770      1.779007
  N      -2.729148     -6.069883      2.870982
  C      -3.952587     -6.729077      2.292636
  C      -5.212622     -6.200567      2.971025
  N      -5.139932     -4.760176      3.188682
  Mo     -3.324676     -4.368877      4.243530
  N      -1.955513     -5.436172      5.445293
  C      -1.026921     -6.234229      4.647781
  C      -1.871522     -7.011204      3.644985
  H      -0.461201     -6.952362      5.256789
  H      -0.306716     -5.570468      4.140621
  H      -2.538441     -7.688178      4.196284
  H      -1.247483     -7.613440      2.963526
  H      -6.095660     -6.482933      2.382038
  H      -5.323944     -6.674817      3.965915
  H      -4.004537     -6.495471      1.226210
  H      -3.867511     -7.818861      2.409771
  H      -1.898955     -3.620082      0.610911
  H      -3.531560     -4.332510      0.843406
  H      -0.918812     -5.237303      2.174809
  H      -1.831714     -6.133601      0.930433
  C      -3.398006     -2.023394      2.363075
  C      -3.851771     -1.606888      1.113252
  C      -4.285636     -0.303360      0.873467
  C      -4.804410     -0.004006     -0.481859
  O      -4.786352     -0.827739     -1.393357
  C      -4.216436      0.650054      1.941504
  C      -4.519767      2.091583      1.830229
  O      -4.765851      2.711245      0.806278
  C      -3.830955      0.215498      3.199777
  C      -3.493078     -1.131476      3.494171
  C      -3.551009     -1.488265      4.871819
  O      -3.684913     -2.677194      5.347573
  C      -6.094029     -3.902236      2.758540
  C      -6.355929     -2.754484      3.560565
  C      -7.364089     -1.839424      3.305987
  C      -7.401645     -0.706850      4.259279
  O      -8.069737      0.312148      4.173113
  C      -8.244188     -2.038669      2.193302
  C      -9.391098     -1.174330      1.865595
  O     -10.151227     -1.391215      0.922413
  C      -7.976981     -3.132427      1.375160
  C      -6.914522     -4.032426      1.570286
  C      -6.605223     -4.836196      0.393967
  O      -5.565139     -5.457045      0.158645
  C      -1.853996     -5.408553      6.785402
  C      -0.663313     -5.773651      7.478660
  C      -0.521127     -5.612226      8.843256
  C       0.786332     -6.032327      9.438562
  O       1.805268     -6.144492      8.773536
  C      -1.618606     -5.138632      9.637998
  C      -1.542450     -4.842991     11.073765
  O      -0.523245     -4.812804     11.752120
  C      -2.825758     -4.900100      9.000731
  C      -2.981302     -5.015213      7.604091
  C      -4.298055     -4.986660      7.075843
  O      -4.619707     -5.042180      5.855898
  H      -3.870726     -2.286337      0.260828
  H      -5.229077      1.007653     -0.628489
  H      -4.488765      2.618547      2.817423
  H      -3.850330      0.929032      4.028668
  H      -3.645533     -0.667796      5.596053
  H      -5.759441     -2.628905      4.462573
  H      -6.693671     -0.845837      5.116977
  H      -9.542668     -0.298296      2.528052
  H      -8.606642     -3.256006      0.489004
  H      -7.401373     -4.784032     -0.386855
  H       0.212638     -6.122813      6.932386
  H       0.771062     -6.271449     10.520553
  H      -2.537126     -4.613220     11.532339
  H      -3.692308     -4.597802      9.596587
  H      -5.127524     -4.991634      7.805535
  N      -1.875167     -3.409081      3.586739
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668076-DRZv/orca E -6312.559983600881
  N      -2.794720     -3.298714      2.514166
  C      -2.557658     -4.145098      1.318742
  C      -1.920629     -5.437907      1.778789
  N      -2.728850     -6.069745      2.871117
  C      -3.952445     -6.728954      2.293194
  C      -5.212337     -6.199894      2.971396
  N      -5.139255     -4.759533      3.188716
  Mo     -3.324052     -4.368526      4.243431
  N      -1.955046     -5.435518      5.445254
  C      -1.026468     -6.233653      4.647698
  C      -1.871191     -7.010980      3.645253
  H      -0.460389     -6.951494      5.256686
  H      -0.306560     -5.569883      4.140183
  H      -2.538036     -7.687847      4.196725
  H      -1.247167     -7.613329      2.963860
  H      -6.095413     -6.481982      2.382333
  H      -5.323873     -6.673921      3.966356
  H      -4.004408     -6.496024      1.226622
  H      -3.867551     -7.818689      2.410905
  H      -1.898773     -3.620434      0.610481
  H      -3.531515     -4.332549      0.843511
  H      -0.918546     -5.237398      2.174409
  H      -1.831711     -6.133919      0.930365
  C      -3.398150     -2.023594      2.362896
  C      -3.853240     -1.607591      1.113385
  C      -4.287365     -0.304208      0.873593
  C      -4.807177     -0.005315     -0.481495
  O      -4.789396     -0.829179     -1.392888
  C      -4.217373      0.649587      1.941226
  C      -4.520978      2.091067      1.829599
  O      -4.768241      2.710242      0.805641
  C      -3.830830      0.215541      3.199301
  C      -3.492508     -1.131305      3.493825
  C      -3.549720     -1.487767      4.871612
  O      -3.683627     -2.676657      5.347572
  C      -6.093164     -3.901439      2.758360
  C      -6.355225     -2.753813      3.560555
  C      -7.363218     -1.838670      3.305798
  C      -7.400702     -0.705996      4.258952
  O      -8.071097      0.311634      4.174295
  C      -8.243052     -2.037759      2.192850
  C      -9.390018     -1.173494      1.865123
  O     -10.150175     -1.390341      0.921957
  C      -7.975838     -3.131489      1.374754
  C      -6.913490     -4.031612      1.570062
  C      -6.604029     -4.835557      0.393972
  O      -5.564363     -5.457396      0.159378
  C      -1.853804     -5.408420      6.785469
  C      -0.663286     -5.773772      7.478922
  C      -0.521331     -5.612742      8.843598
  C       0.785999     -6.033027      9.439005
  O       1.804330     -6.147981      8.773499
  C      -1.618962     -5.139229      9.638207
  C      -1.543197     -4.844005     11.074119
  O      -0.524095     -4.813120     11.752588
  C      -2.825885     -4.900342      9.000718
  C      -2.981204     -5.015149      7.604075
  C      -4.297861     -4.986267      7.075502
  O      -4.619154     -5.041697      5.855489
  H      -3.872951     -2.287360      0.261206
  H      -5.231395      1.006497     -0.628381
  H      -4.490635      2.618189      2.816731
  H      -3.849724      0.929350      4.027974
  H      -3.643683     -0.667148      5.595729
  H      -5.758960     -2.628481      4.462715
  H      -6.695584     -0.846619      5.118723
  H      -9.541770     -0.297626      2.527780
  H      -8.605422     -3.254988      0.488520
  H      -7.400287     -4.783821     -0.386789
  H       0.212786     -6.122854      6.932801
  H       0.770146     -6.274118     10.520545
  H      -2.537803     -4.612759     11.532108
  H      -3.692516     -4.598053      9.596480
  H      -5.127645     -4.991068      7.804839
  N      -1.874516     -3.408871      3.586346
