74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6236.837630930628
  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
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.798604230866
  N      -2.951890     -3.487986      2.538886
  C      -2.362794     -4.241997      1.430530
  C      -1.902945     -5.610278      1.938798
  N      -2.956189     -6.190429      2.806837
  C      -4.067513     -6.705776      1.968279
  C      -5.388834     -6.259896      2.593136
  N      -5.211809     -4.925348      3.130056
  Mo     -3.560994     -4.552902      4.099782
  N      -2.269385     -5.625894      5.232803
  C      -1.507760     -6.738212      4.694636
  C      -2.387387     -7.313703      3.591579
  H      -1.327038     -7.495725      5.466031
  H      -0.530581     -6.420205      4.307199
  H      -3.220479     -7.854074      4.056846
  H      -1.823644     -7.995767      2.945039
  H      -6.192609     -6.304450      1.854188
  H      -5.662984     -6.915693      3.435582
  H      -4.001337     -6.287679      0.962898
  H      -4.023500     -7.794934      1.888048
  H      -1.497959     -3.709470      1.019803
  H      -3.108887     -4.354822      0.633185
  H      -0.987541     -5.477994      2.523019
  H      -1.684816     -6.277988      1.097925
  C      -3.254772     -2.186559      2.284558
  C      -3.143029     -1.608985      1.000306
  C      -3.369915     -0.275639      0.730396
  C      -3.273627      0.140214     -0.682627
  O      -2.835500     -0.575227     -1.555090
  C      -3.719801      0.617736      1.786892
  C      -3.896963      2.063268      1.624648
  O      -3.659812      2.721645      0.638451
  C      -3.882934      0.078280      3.046058
  C      -3.694998     -1.292853      3.336756
  C      -3.964052     -1.727746      4.639321
  O      -3.977029     -2.945681      4.969587
  C      -6.237284     -4.027802      2.971853
  C      -6.753035     -3.411653      4.123092
  C      -7.821006     -2.527790      4.102197
  C      -8.229342     -1.940791      5.392421
  O      -8.914389     -0.961804      5.554436
  C      -8.450641     -2.240622      2.867536
  C      -9.638082     -1.381685      2.733192
  O     -10.104202     -1.052557      1.665984
  C      -7.944686     -2.837753      1.719231
  C      -6.848434     -3.696516      1.724752
  C      -6.290245     -4.063708      0.425426
  O      -5.214315     -4.588417      0.243276
  C      -2.036829     -5.278554      6.539804
  C      -0.766689     -5.366483      7.134481
  C      -0.524817     -4.963697      8.441342
  C       0.866889     -5.075239      8.924083
  O       1.813071     -5.199505      8.179788
  C      -1.595950     -4.504026      9.247270
  C      -1.425783     -4.011368     10.619172
  O      -0.380951     -3.743418     11.165689
  C      -2.878564     -4.510402      8.706219
  C      -3.130717     -4.879700      7.372193
  C      -4.472457     -5.014316      6.874842
  O      -4.747490     -5.182921      5.660633
  H      -2.892317     -2.210051      0.140680
  H      -3.645384      1.149010     -0.906307
  H      -4.276864      2.553457      2.540781
  H      -4.174980      0.725480      3.860008
  H      -4.231454     -0.992558      5.402642
  H      -6.327292     -3.685599      5.081176
  H      -7.810893     -2.480514      6.262864
  H     -10.098582     -1.055721      3.676868
  H      -8.427537     -2.595595      0.782495
  H      -6.917892     -3.754812     -0.426231
  H       0.083478     -5.717891      6.568362
  H       0.997606     -5.045303     10.014219
  H      -2.384768     -3.874266     11.151735
  H      -3.709734     -4.209960      9.326924
  H      -5.378851     -4.928084      7.676824
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.818444971282
  N      -2.908813     -3.470759      2.544036
  C      -2.306973     -4.221339      1.433890
  C      -1.857236     -5.589103      1.930265
  N      -2.921090     -6.193956      2.781263
  C      -4.036686     -6.708040      1.925730
  C      -5.365166     -6.282038      2.547335
  N      -5.215289     -4.940620      3.102146
  Mo     -3.554844     -4.555783      4.096678
  N      -2.259345     -5.627315      5.243234
  C      -1.481398     -6.731905      4.687535
  C      -2.343309     -7.315397      3.571686
  H      -1.297560     -7.497825      5.454961
  H      -0.499709     -6.401268      4.308834
  H      -3.176861     -7.869012      4.024052
  H      -1.766381     -7.991183      2.922111
  H      -6.167473     -6.330079      1.801629
  H      -5.636557     -6.956639      3.380494
  H      -3.964449     -6.274324      0.925891
  H      -3.977509     -7.800725      1.833738
  H      -1.432435     -3.683839      1.039190
  H      -3.041645     -4.325040      0.621761
  H      -0.950446     -5.463629      2.534599
  H      -1.622938     -6.250045      1.082110
  C      -3.208207     -2.162659      2.281047
  C      -3.084703     -1.613487      0.985105
  C      -3.325536     -0.283645      0.682241
  C      -3.230836      0.093115     -0.750144
  O      -2.783632     -0.656801     -1.606426
  C      -3.695834      0.626857      1.727151
  C      -3.894921      2.074998      1.563497
  O      -3.659020      2.746453      0.572682
  C      -3.865864      0.107183      2.998732
  C      -3.669989     -1.257242      3.315634
  C      -3.961494     -1.682551      4.624483
  O      -3.980519     -2.921824      4.966008
  C      -6.255841     -4.036289      2.967604
  C      -6.739754     -3.411052      4.136667
  C      -7.810227     -2.524598      4.150892
  C      -8.146674     -1.945934      5.470649
  O      -8.824135     -0.957329      5.683758
  C      -8.493083     -2.235629      2.934558
  C      -9.695998     -1.380870      2.831726
  O     -10.203110     -1.061758      1.765433
  C      -8.021013     -2.836351      1.770587
  C      -6.919042     -3.696901      1.733259
  C      -6.442966     -4.043214      0.391533
  O      -5.380030     -4.580702      0.110131
  C      -2.046357     -5.297617      6.560362
  C      -0.779136     -5.386075      7.166479
  C      -0.551315     -4.982825      8.480267
  C       0.845162     -5.099308      8.980595
  O       1.803363     -5.231942      8.236393
  C      -1.638111     -4.519126      9.277030
  C      -1.504075     -4.011748     10.652401
  O      -0.467147     -3.725724     11.227830
  C      -2.916512     -4.529801      8.720304
  C      -3.151449     -4.902269      7.388235
  C      -4.488641     -5.032423      6.882937
  O      -4.766236     -5.200211      5.665984
  H      -2.820915     -2.241039      0.136901
  H      -3.620275      1.094463     -1.010681
  H      -4.293022      2.561244      2.487911
  H      -4.178374      0.772644      3.805197
  H      -4.247582     -0.943265      5.382385
  H      -6.279369     -3.679871      5.084343
  H      -7.672345     -2.499043      6.318733
  H     -10.136451     -1.052295      3.792427
  H      -8.540192     -2.595805      0.841290
  H      -7.133886     -3.707960     -0.415371
  H       0.082510     -5.735514      6.599956
  H       0.968325     -5.078495     10.079321
  H      -2.487813     -3.875399     11.163776
  H      -3.764794     -4.227484      9.336432
  H      -5.361547     -4.868926      7.634885
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.826130841318
  N      -2.911126     -3.446814      2.582547
  C      -2.342800     -4.200059      1.451423
  C      -1.883567     -5.565426      1.923254
  N      -2.931646     -6.193623      2.783242
  C      -4.065629     -6.694472      1.931502
  C      -5.385642     -6.290488      2.570314
  N      -5.252519     -4.950986      3.146087
  Mo     -3.561108     -4.554096      4.141331
  N      -2.232290     -5.631318      5.272900
  C      -1.457725     -6.725156      4.675174
  C      -2.329480     -7.311574      3.568184
  H      -1.252460     -7.500594      5.430280
  H      -0.482975     -6.383099      4.282697
  H      -3.154697     -7.875982      4.024461
  H      -1.757038     -7.980869      2.903783
  H      -6.191248     -6.331119      1.824615
  H      -5.651382     -6.985595      3.390400
  H      -3.999961     -6.234147      0.939862
  H      -3.993935     -7.786923      1.817431
  H      -1.474278     -3.661207      1.039618
  H      -3.097283     -4.295471      0.650511
  H      -0.969145     -5.449170      2.520308
  H      -1.659806     -6.219792      1.063591
  C      -3.211378     -2.128443      2.323111
  C      -3.115851     -1.599044      1.015596
  C      -3.376944     -0.271604      0.698022
  C      -3.332306      0.087794     -0.744908
  O      -2.909094     -0.679541     -1.609284
  C      -3.730462      0.646050      1.744155
  C      -3.951177      2.092795      1.581993
  O      -3.752883      2.763686      0.574304
  C      -3.868969      0.142385      3.029412
  C      -3.660357     -1.217285      3.359092
  C      -3.941134     -1.634153      4.675098
  O      -3.965856     -2.886621      5.023055
  C      -6.291079     -4.045213      2.994526
  C      -6.802112     -3.360432      4.122752
  C      -7.863536     -2.461501      4.060731
  C      -8.211303     -1.826607      5.352172
  O      -8.895344     -0.824135      5.516575
  C      -8.512883     -2.214026      2.810737
  C      -9.703529     -1.350022      2.636866
  O     -10.179226     -1.072740      1.535560
  C      -8.006167     -2.870297      1.689464
  C      -6.910529     -3.746117      1.726247
  C      -6.386685     -4.141286      0.415279
  O      -5.315842     -4.709405      0.183833
  C      -2.007561     -5.327827      6.596079
  C      -0.730780     -5.436119      7.186124
  C      -0.486379     -5.048711      8.503769
  C       0.917310     -5.188720      8.998820
  O       1.871335     -5.329435      8.241049
  C      -1.561511     -4.579180      9.318285
  C      -1.417360     -4.079269     10.696064
  O      -0.367824     -3.813044     11.273185
  C      -2.848336     -4.571497      8.775213
  C      -3.101545     -4.929335      7.444150
  C      -4.451329     -5.031295      6.965206
  O      -4.768659     -5.204886      5.753256
  H      -2.867939     -2.242865      0.170459
  H      -3.729152      1.090231     -1.008713
  H      -4.332554      2.580078      2.519361
  H      -4.174348      0.820604      3.835542
  H      -4.223601     -0.897856      5.437475
  H      -6.371428     -3.587133      5.095856
  H      -7.747448     -2.349481      6.232127
  H     -10.165198     -0.964997      3.571308
  H      -8.487046     -2.662266      0.726512
  H      -7.042556     -3.813623     -0.431196
  H       0.122818     -5.787588      6.600840
  H       1.050699     -5.173844     10.100542
  H      -2.402278     -3.935350     11.215102
  H      -3.690954     -4.266619      9.407976
  H      -5.276709     -4.812139      7.704006
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.829758439057
  N      -2.877325     -3.429681      2.562972
  C      -2.313865     -4.194831      1.436124
  C      -1.853123     -5.553246      1.912449
  N      -2.904014     -6.192949      2.760048
  C      -4.029395     -6.700723      1.898229
  C      -5.359664     -6.310158      2.517434
  N      -5.263245     -4.966086      3.094998
  Mo     -3.568857     -4.542148      4.116170
  N      -2.230742     -5.601506      5.276309
  C      -1.440505     -6.683263      4.675143
  C      -2.295301     -7.290365      3.568944
  H      -1.225323     -7.454231      5.432178
  H      -0.469343     -6.328286      4.286652
  H      -3.120273     -7.860769      4.018189
  H      -1.709649     -7.960147      2.916579
  H      -6.156601     -6.367376      1.764338
  H      -5.624700     -7.008222      3.334512
  H      -3.949071     -6.236199      0.911733
  H      -3.938420     -7.792295      1.786637
  H      -1.444322     -3.659368      1.021506
  H      -3.067346     -4.292712      0.633877
  H      -0.947670     -5.436804      2.522773
  H      -1.615872     -6.209030      1.057363
  C      -3.167112     -2.106798      2.292677
  C      -3.050028     -1.591026      0.981444
  C      -3.305520     -0.265400      0.647729
  C      -3.245347      0.086692     -0.794879
  O      -2.817671     -0.689603     -1.650409
  C      -3.674274      0.657879      1.680337
  C      -3.893128      2.102573      1.506626
  O      -3.683147      2.763225      0.493616
  C      -3.830645      0.168065      2.969528
  C      -3.628664     -1.188689      3.315383
  C      -3.939122     -1.591776      4.626784
  O      -3.978490     -2.842762      4.986305
  C      -6.315141     -4.077282      2.977999
  C      -6.776189     -3.395966      4.129467
  C      -7.850378     -2.511302      4.121432
  C      -8.126832     -1.880353      5.430322
  O      -8.827631     -0.895705      5.634762
  C      -8.569804     -2.269679      2.910192
  C      -9.776550     -1.421168      2.808338
  O     -10.323226     -1.156215      1.736155
  C      -8.106298     -2.911481      1.763033
  C      -6.993302     -3.768430      1.736853
  C      -6.532865     -4.100331      0.387487
  O      -5.460681     -4.620983      0.061728
  C      -2.029262     -5.310261      6.603947
  C      -0.761088     -5.438249      7.212734
  C      -0.534150     -5.063227      8.535848
  C       0.856835     -5.231697      9.061688
  O       1.820717     -5.395165      8.321213
  C      -1.613410     -4.584328      9.337842
  C      -1.485351     -4.091570     10.717668
  O      -0.439372     -3.845690     11.312329
  C      -2.892670     -4.556599      8.775644
  C      -3.131097     -4.902031      7.438723
  C      -4.480766     -4.978932      6.954026
  O      -4.805820     -5.178198      5.746190
  H      -2.789580     -2.243041      0.148305
  H      -3.625072      1.092636     -1.068584
  H      -4.278769      2.598683      2.436423
  H      -4.147495      0.855781      3.762351
  H      -4.235438     -0.855384      5.381726
  H      -6.289397     -3.613633      5.079600
  H      -7.586911     -2.380567      6.278116
  H     -10.186761     -1.038964      3.767229
  H      -8.628766     -2.699145      0.823384
  H      -7.237457     -3.743289     -0.404973
  H       0.095306     -5.797044      6.637165
  H       0.968175     -5.226263     10.165327
  H      -2.475213     -3.925363     11.218394
  H      -3.740276     -4.248440      9.399525
  H      -5.292962     -4.739018      7.676391
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.738202591576
  N      -2.875996     -3.413034      2.577073
  C      -2.334767     -4.178952      1.441880
  C      -1.856285     -5.531284      1.913740
  N      -2.896555     -6.183783      2.761632
  C      -4.020118     -6.695583      1.902908
  C      -5.354449     -6.322067      2.522125
  N      -5.279934     -4.980003      3.102693
  Mo     -3.578630     -4.535791      4.123553
  N      -2.218737     -5.579078      5.285153
  C      -1.419076     -6.643920      4.671446
  C      -2.274665     -7.266025      3.577087
  H      -1.180257     -7.412420      5.423386
  H      -0.459309     -6.271728      4.273219
  H      -3.092724     -7.842285      4.031262
  H      -1.685129     -7.934986      2.927858
  H      -6.148374     -6.387978      1.766653
  H      -5.614969     -7.024947      3.335833
  H      -3.941921     -6.221350      0.921120
  H      -3.915521     -7.784414      1.783325
  H      -1.476338     -3.642264      1.006996
  H      -3.102716     -4.281345      0.656007
  H      -0.950465     -5.409237      2.521327
  H      -1.615094     -6.183169      1.057463
  C      -3.170255     -2.091962      2.307819
  C      -3.071328     -1.578086      0.994998
  C      -3.340115     -0.255945      0.662091
  C      -3.316441      0.088445     -0.781272
  O      -2.942997     -0.704764     -1.643569
  C      -3.696511      0.667921      1.697395
  C      -3.921487      2.111852      1.525918
  O      -3.728849      2.771125      0.510898
  C      -3.834600      0.179916      2.988624
  C      -3.626187     -1.176565      3.333229
  C      -3.935845     -1.579793      4.642639
  O      -3.979696     -2.825245      5.002514
  C      -6.326685     -4.096187      2.970672
  C      -6.761799     -3.364012      4.099701
  C      -7.825359     -2.467976      4.070106
  C      -8.069716     -1.775571      5.353855
  O      -8.767926     -0.785954      5.529806
  C      -8.558917     -2.266224      2.860599
  C      -9.756517     -1.410974      2.744355
  O     -10.322649     -1.192073      1.674104
  C      -8.114005     -2.952243      1.732883
  C      -7.010207     -3.820779      1.725743
  C      -6.554362     -4.188648      0.385978
  O      -5.506520     -4.759952      0.074973
  C      -2.021406     -5.305181      6.613324
  C      -0.756581     -5.459933      7.224800
  C      -0.527970     -5.106290      8.551195
  C       0.855048     -5.315872      9.081787
  O       1.815858     -5.493749      8.344474
  C      -1.599208     -4.620016      9.357756
  C      -1.465855     -4.142449     10.741156
  O      -0.418562     -3.921205     11.339597
  C      -2.876135     -4.566360      8.792643
  C      -3.117164     -4.890407      7.450103
  C      -4.470612     -4.947843      6.975391
  O      -4.812353     -5.166339      5.777580
  H      -2.820078     -2.229363      0.160265
  H      -3.709573      1.087822     -1.051909
  H      -4.290382      2.608397      2.459846
  H      -4.144477      0.867265      3.782037
  H      -4.230871     -0.846221      5.400980
  H      -6.259684     -3.545091      5.048883
  H      -7.502002     -2.227563      6.207756
  H     -10.141476     -0.978923      3.690238
  H      -8.640311     -2.765920      0.791582
  H      -7.261287     -3.859908     -0.413800
  H       0.093843     -5.825694      6.647653
  H       0.960373     -5.329550     10.184145
  H      -2.451561     -3.959735     11.239831
  H      -3.719522     -4.257705      9.418786
  H      -5.279774     -4.718738      7.712400
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.831544395967
  N      -2.884061     -3.398862      2.589219
  C      -2.370710     -4.165396      1.446646
  C      -1.873940     -5.510386      1.914002
  N      -2.900917     -6.169771      2.765786
  C      -4.023788     -6.681979      1.914620
  C      -5.360424     -6.326479      2.535689
  N      -5.307526     -4.991396      3.120372
  Mo     -3.593494     -4.523930      4.136021
  N      -2.202617     -5.540664      5.296929
  C      -1.401546     -6.589669      4.667641
  C      -2.263583     -7.229885      3.590931
  H      -1.136073     -7.354590      5.413112
  H      -0.455279     -6.203494      4.255032
  H      -3.072439     -7.812002      4.053576
  H      -1.670554     -7.899668      2.946678
  H      -6.150351     -6.399409      1.776697
  H      -5.618461     -7.034708      3.344333
  H      -3.948479     -6.195543      0.937976
  H      -3.907421     -7.766824      1.784466
  H      -1.524513     -3.630388      0.988347
  H      -3.153888     -4.270621      0.680212
  H      -0.964792     -5.384169      2.513270
  H      -1.633711     -6.159742      1.056973
  C      -3.179264     -2.081992      2.321139
  C      -3.102897     -1.569394      1.007726
  C      -3.380031     -0.251092      0.677995
  C      -3.399054      0.080502     -0.764226
  O      -3.079163     -0.728501     -1.625753
  C      -3.713219      0.676713      1.716065
  C      -3.935174      2.121695      1.548002
  O      -3.760575      2.778506      0.533900
  C      -3.831321      0.190391      3.007726
  C      -3.622690     -1.167503      3.349329
  C      -3.931871     -1.566087      4.657018
  O      -3.983892     -2.796293      5.023357
  C      -6.345701     -4.116666      2.974437
  C      -6.766846     -3.337273      4.074703
  C      -7.818483     -2.430944      4.010626
  C      -8.048000     -1.678132      5.262916
  O      -8.742531     -0.686175      5.403025
  C      -8.549853     -2.268119      2.794966
  C      -9.734456     -1.406599      2.649595
  O     -10.303172     -1.228735      1.578744
  C      -8.109648     -2.995409      1.693403
  C      -7.016147     -3.874326      1.720779
  C      -6.530758     -4.278736      0.405017
  O      -5.493366     -4.880579      0.143460
  C      -2.004959     -5.282769      6.620109
  C      -0.742274     -5.465880      7.229771
  C      -0.509809     -5.144736      8.558936
  C       0.864574     -5.402938      9.085655
  O       1.816819     -5.588978      8.347993
  C      -1.569432     -4.659135      9.378371
  C      -1.425571     -4.212379     10.768981
  O      -0.377763     -4.025134     11.369002
  C      -2.844736     -4.575581      8.814638
  C      -3.091468     -4.868538      7.464565
  C      -4.451613     -4.913050      7.006140
  O      -4.816523     -5.155476      5.824757
  H      -2.867787     -2.218771      0.169998
  H      -3.792638      1.076146     -1.032022
  H      -4.280596      2.620058      2.485421
  H      -4.127223      0.877597      3.801643
  H      -4.221899     -0.831550      5.417449
  H      -6.261129     -3.483428      5.025536
  H      -7.468685     -2.084282      6.126753
  H     -10.105090     -0.927540      3.573907
  H      -8.625152     -2.833078      0.745236
  H      -7.212246     -3.974401     -0.420799
  H       0.099206     -5.835284      6.647538
  H       0.966505     -5.446805     10.184096
  H      -2.402938     -4.022512     11.272664
  H      -3.681712     -4.275002      9.446602
  H      -5.291901     -4.728138      7.770880
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.833486266157
  N      -2.896774     -3.405794      2.579327
  C      -2.408098     -4.176712      1.427517
  C      -1.896971     -5.516807      1.893973
  N      -2.910366     -6.178041      2.761723
  C      -4.038827     -6.706524      1.927187
  C      -5.372731     -6.354566      2.557677
  N      -5.326245     -5.009113      3.122675
  Mo     -3.607651     -4.530220      4.126323
  N      -2.207519     -5.533605      5.287914
  C      -1.398770     -6.577062      4.656300
  C      -2.264207     -7.229827      3.590518
  H      -1.116350     -7.337662      5.400657
  H      -0.460929     -6.180546      4.232718
  H      -3.067542     -7.810388      4.064976
  H      -1.672395     -7.905447      2.949776
  H      -6.168900     -6.449036      1.808443
  H      -5.614491     -7.053513      3.380177
  H      -3.980287     -6.228682      0.945394
  H      -3.916875     -7.792501      1.803982
  H      -1.574278     -3.643740      0.943548
  H      -3.210857     -4.289358      0.679906
  H      -0.981292     -5.379519      2.481084
  H      -1.661074     -6.168205      1.036233
  C      -3.176581     -2.082705      2.318796
  C      -3.085745     -1.558161      1.009447
  C      -3.327492     -0.228373      0.692601
  C      -3.322871      0.127448     -0.746886
  O      -2.953393     -0.652289     -1.618153
  C      -3.643775      0.696062      1.739405
  C      -3.826068      2.148617      1.584182
  O      -3.638560      2.809132      0.573054
  C      -3.777086      0.199591      3.025930
  C      -3.597911     -1.165533      3.354901
  C      -3.912605     -1.568398      4.661960
  O      -3.978599     -2.801459      5.024621
  C      -6.368154     -4.134747      2.967493
  C      -6.799257     -3.357886      4.068722
  C      -7.868472     -2.472075      4.010067
  C      -8.103203     -1.721449      5.263656
  O      -8.837906     -0.758753      5.415854
  C      -8.611998     -2.326459      2.798682
  C      -9.816879     -1.489338      2.657888
  O     -10.403437     -1.333650      1.590976
  C      -8.162175     -3.044796      1.694807
  C      -7.050934     -3.902572      1.714868
  C      -6.561049     -4.278753      0.390970
  O      -5.482929     -4.798894      0.110753
  C      -2.009038     -5.276760      6.611554
  C      -0.747750     -5.470160      7.224036
  C      -0.509219     -5.134492      8.549193
  C       0.863810     -5.404165      9.078655
  O       1.817841     -5.600339      8.343355
  C      -1.562255     -4.625019      9.364032
  C      -1.409180     -4.159309     10.748222
  O      -0.356156     -3.980980     11.344858
  C      -2.836674     -4.532884      8.800452
  C      -3.088573     -4.840709      7.455140
  C      -4.449875     -4.892120      7.004444
  O      -4.821106     -5.150545      5.829907
  H      -2.859254     -2.203790      0.164849
  H      -3.620482      1.163290     -0.994910
  H      -4.166006      2.647121      2.525841
  H      -4.056384      0.886857      3.828057
  H      -4.186404     -0.830728      5.426427
  H      -6.291241     -3.497043      5.019519
  H      -7.501617     -2.111456      6.122464
  H     -10.181969     -1.001162      3.581999
  H      -8.685621     -2.890952      0.747934
  H      -7.230743     -3.930023     -0.429682
  H       0.090754     -5.853377      6.644079
  H       0.966534     -5.427546     10.179738
  H      -2.384609     -3.949696     11.252137
  H      -3.671120     -4.214717      9.429980
  H      -5.275879     -4.682890      7.761396
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.834291753542
  N      -2.894505     -3.410512      2.561429
  C      -2.418843     -4.183878      1.401829
  C      -1.895345     -5.519813      1.868926
  N      -2.901628     -6.183488      2.746577
  C      -4.029855     -6.730821      1.919581
  C      -5.364259     -6.383266      2.554628
  N      -5.326521     -5.026855      3.104929
  Mo     -3.611791     -4.537019      4.101196
  N      -2.212031     -5.525545      5.272508
  C      -1.391324     -6.567801      4.645282
  C      -2.253669     -7.231329      3.581836
  H      -1.098360     -7.324577      5.390388
  H      -0.458540     -6.161519      4.216710
  H      -3.055569     -7.807808      4.064200
  H      -1.660684     -7.914606      2.948323
  H      -6.165097     -6.498789      1.813275
  H      -5.589954     -7.075164      3.388628
  H      -3.986496     -6.262372      0.933375
  H      -3.902049     -7.818583      1.802744
  H      -1.595905     -3.650716      0.898116
  H      -3.237785     -4.305731      0.668720
  H      -0.977091     -5.369233      2.450236
  H      -1.657390     -6.172350      1.010986
  C      -3.160433     -2.078862      2.310054
  C      -3.053340     -1.540971      1.005129
  C      -3.258333     -0.198946      0.702669
  C      -3.222572      0.185001     -0.733877
  O      -2.945695     -0.611603     -1.630231
  C      -3.561066      0.719807      1.759727
  C      -3.704084      2.178819      1.619806
  O      -3.486379      2.847913      0.615851
  C      -3.713816      0.210996      3.040501
  C      -3.565965     -1.160884      3.354415
  C      -3.891637     -1.573266      4.659624
  O      -3.972406     -2.815986      5.013407
  C      -6.377654     -4.152518      2.948620
  C      -6.798405     -3.379516      4.060621
  C      -7.884960     -2.513280      4.030814
  C      -8.102059     -1.772498      5.294103
  O      -8.861009     -0.828681      5.473961
  C      -8.662085     -2.379829      2.837604
  C      -9.888784     -1.563700      2.724199
  O     -10.518678     -1.436885      1.673171
  C      -8.224489     -3.087934      1.720852
  C      -7.095967     -3.925245      1.709205
  C      -6.635951     -4.271110      0.363952
  O      -5.561092     -4.783526      0.038560
  C      -2.023832     -5.267028      6.601361
  C      -0.769355     -5.470008      7.229433
  C      -0.535858     -5.114756      8.552759
  C       0.831902     -5.392956      9.099447
  O       1.791160     -5.628280      8.375948
  C      -1.590402     -4.578188      9.350904
  C      -1.439467     -4.091239     10.729354
  O      -0.383812     -3.916949     11.330195
  C      -2.859086     -4.478578      8.776107
  C      -3.104696     -4.805973      7.435146
  C      -4.462801     -4.872937      6.977624
  O      -4.824454     -5.150222      5.804164
  H      -2.835271     -2.182746      0.152495
  H      -3.545931      1.220687     -0.968395
  H      -4.025832      2.676933      2.572327
  H      -3.979670      0.896509      3.853021
  H      -4.151703     -0.833304      5.426913
  H      -6.268750     -3.512972      5.002767
  H      -7.444563     -2.136949      6.127919
  H     -10.235061     -1.071769      3.657967
  H      -8.775075     -2.939818      0.785354
  H      -7.355331     -3.948719     -0.430079
  H       0.072627     -5.869557      6.660936
  H       0.919087     -5.417883     10.205582
  H      -2.418251     -3.853804     11.222318
  H      -3.697612     -4.139996      9.395225
  H      -5.279139     -4.640924      7.712346
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.835462081710
  N      -2.898984     -3.406562      2.563306
  C      -2.438515     -4.176876      1.396552
  C      -1.904333     -5.510278      1.858227
  N      -2.901604     -6.176931      2.741558
  C      -4.030288     -6.731113      1.920291
  C      -5.365105     -6.389729      2.559942
  N      -5.333307     -5.032328      3.105364
  Mo     -3.619612     -4.535376      4.096842
  N      -2.212272     -5.513035      5.267860
  C      -1.383993     -6.545627      4.635942
  C      -2.245364     -7.217430      3.577080
  H      -1.077447     -7.300273      5.376958
  H      -0.459433     -6.127031      4.202778
  H      -3.042440     -7.796337      4.064370
  H      -1.650512     -7.900285      2.945532
  H      -6.168682     -6.513208      1.821816
  H      -5.583213     -7.079337      3.397248
  H      -3.994484     -6.262238      0.933688
  H      -3.898244     -7.817647      1.801782
  H      -1.625429     -3.643179      0.878832
  H      -3.268863     -4.300702      0.678541
  H      -0.983502     -5.354452      2.433780
  H      -1.667963     -6.160627      0.998931
  C      -3.157228     -2.073381      2.321626
  C      -3.063918     -1.530896      1.018879
  C      -3.263978     -0.187416      0.725088
  C      -3.250939      0.195832     -0.710468
  O      -2.960099     -0.593640     -1.606959
  C      -3.543217      0.730298      1.789865
  C      -3.675451      2.191271      1.660131
  O      -3.469853      2.864821      0.658012
  C      -3.686928      0.215749      3.069126
  C      -3.548124     -1.159039      3.373841
  C      -3.870073     -1.576816      4.678268
  O      -3.963561     -2.818486      5.025521
  C      -6.383421     -4.162835      2.943727
  C      -6.785480     -3.360638      4.040854
  C      -7.872322     -2.495384      4.004577
  C      -8.073595     -1.723791      5.251652
  O      -8.845374     -0.790802      5.425420
  C      -8.665787     -2.393415      2.818809
  C      -9.893471     -1.581245      2.700060
  O     -10.543175     -1.492848      1.658594
  C      -8.243063     -3.128947      1.714351
  C      -7.115682     -3.966886      1.709828
  C      -6.668195     -4.354710      0.372715
  O      -5.602962     -4.891066      0.058999
  C      -2.027848     -5.264142      6.596610
  C      -0.776917     -5.478607      7.228371
  C      -0.542764     -5.123932      8.550611
  C       0.820821     -5.415471      9.098779
  O       1.781432     -5.644688      8.377323
  C      -1.593170     -4.577014      9.346733
  C      -1.438253     -4.086726     10.722976
  O      -0.381964     -3.917487     11.322007
  C      -2.860061     -4.470689      8.770500
  C      -3.106330     -4.797565      7.429552
  C      -4.465293     -4.866759      6.974536
  O      -4.828870     -5.150929      5.804343
  H      -2.867387     -2.170592      0.160079
  H      -3.518193      1.247546     -0.936596
  H      -3.984129      2.685024      2.618004
  H      -3.939659      0.897939      3.887245
  H      -4.118234     -0.837763      5.450094
  H      -6.239620     -3.467597      4.977173
  H      -7.396730     -2.059065      6.080687
  H     -10.217494     -1.051360      3.619338
  H      -8.806308     -3.005160      0.783876
  H      -7.395418     -4.063817     -0.424510
  H       0.063088     -5.883982      6.662712
  H       0.906882     -5.436332     10.203862
  H      -2.413836     -3.838052     11.214174
  H      -3.696572     -4.125784      9.387032
  H      -5.280408     -4.638033      7.711054
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.835749081069
  N      -2.911711     -3.403890      2.562661
  C      -2.476280     -4.170520      1.385437
  C      -1.935463     -5.504488      1.836791
  N      -2.919226     -6.166416      2.735076
  C      -4.053390     -6.730654      1.931419
  C      -5.381002     -6.393133      2.587847
  N      -5.347899     -5.031725      3.115009
  Mo     -3.632572     -4.527744      4.092485
  N      -2.213953     -5.491161      5.259560
  C      -1.383861     -6.515696      4.618863
  C      -2.250286     -7.196752      3.568948
  H      -1.060606     -7.268528      5.353138
  H      -0.470352     -6.084738      4.176644
  H      -3.039616     -7.776648      4.067476
  H      -1.656935     -7.880750      2.938381
  H      -6.194469     -6.531167      1.862817
  H      -5.581820     -7.072463      3.437027
  H      -4.035803     -6.266030      0.941117
  H      -3.919845     -7.816104      1.814853
  H      -1.674838     -3.640024      0.848833
  H      -3.323081     -4.291885      0.689295
  H      -1.006814     -5.346309      2.398388
  H      -1.710719     -6.154216      0.975223
  C      -3.147765     -2.066268      2.337727
  C      -3.066058     -1.512269      1.040768
  C      -3.239612     -0.162984      0.764785
  C      -3.235940      0.229115     -0.665979
  O      -2.994184     -0.565882     -1.568388
  C      -3.480848      0.750792      1.842673
  C      -3.582841      2.215839      1.732723
  O      -3.383156      2.898349      0.738443
  C      -3.619447      0.224143      3.116787
  C      -3.507539     -1.156728      3.403995
  C      -3.823727     -1.580978      4.707307
  O      -3.943982     -2.818105      5.045820
  C      -6.399167     -4.174024      2.944263
  C      -6.796510     -3.338220      4.016683
  C      -7.894389     -2.488616      3.961656
  C      -8.101785     -1.684690      5.186916
  O      -8.902561     -0.777676      5.349417
  C      -8.698227     -2.438516      2.778793
  C      -9.934292     -1.645718      2.638042
  O     -10.598394     -1.617536      1.605208
  C      -8.276136     -3.206453      1.696992
  C      -7.141270     -4.032000      1.714535
  C      -6.687778     -4.479456      0.400105
  O      -5.590040     -4.957710      0.116573
  C      -2.028420     -5.256166      6.585709
  C      -0.779696     -5.482913      7.218417
  C      -0.539921     -5.124819      8.536630
  C       0.822589     -5.424546      9.078761
  O       1.777680     -5.657174      8.355483
  C      -1.582270     -4.564299      9.333274
  C      -1.415881     -4.064165     10.703682
  O      -0.357205     -3.905423     11.296886
  C      -2.849313     -4.455096      8.760427
  C      -3.101180     -4.784996      7.420975
  C      -4.463094     -4.856300      6.973656
  O      -4.834760     -5.143440      5.808278
  H      -2.902214     -2.145941      0.171594
  H      -3.481700      1.285451     -0.881738
  H      -3.868211      2.702021      2.699542
  H      -3.847253      0.900291      3.944836
  H      -4.044551     -0.840857      5.486458
  H      -6.241055     -3.405940      4.949446
  H      -7.408651     -1.978735      6.015604
  H     -10.244718     -1.067654      3.529651
  H      -8.848041     -3.122174      0.769170
  H      -7.385746     -4.181565     -0.417353
  H       0.056847     -5.894644      6.655058
  H       0.909694     -5.454172     10.181519
  H      -2.385375     -3.813625     11.201531
  H      -3.680937     -4.100772      9.375090
  H      -5.273145     -4.631624      7.720580
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.836803189240
  N      -2.918352     -3.401313      2.550716
  C      -2.502104     -4.169800      1.366032
  C      -1.951294     -5.501575      1.813013
  N      -2.922997     -6.164199      2.724356
  C      -4.059650     -6.744126      1.934847
  C      -5.383203     -6.410847      2.600969
  N      -5.357963     -5.040330      3.108590
  Mo     -3.641763     -4.523415      4.078113
  N      -2.213617     -5.472630      5.249352
  C      -1.376475     -6.490436      4.604433
  C      -2.242232     -7.183917      3.562331
  H      -1.038628     -7.239038      5.336477
  H      -0.471825     -6.048202      4.154640
  H      -3.025153     -7.765102      4.069771
  H      -1.647399     -7.869580      2.934540
  H      -6.203175     -6.569247      1.888440
  H      -5.566147     -7.079626      3.462764
  H      -4.056063     -6.287339      0.940996
  H      -3.918696     -7.829758      1.825332
  H      -1.711472     -3.640051      0.812790
  H      -3.362595     -4.294981      0.686377
  H      -1.017477     -5.336820      2.364591
  H      -1.732481     -6.152987      0.950958
  C      -3.135442     -2.056668      2.337222
  C      -3.052122     -1.493758      1.044082
  C      -3.195932     -0.137711      0.780654
  C      -3.186803      0.269607     -0.646673
  O      -2.963549     -0.521003     -1.559102
  C      -3.410462      0.771141      1.868361
  C      -3.480839      2.239090      1.772546
  O      -3.273347      2.926532      0.782273
  C      -3.553845      0.236187      3.139111
  C      -3.470280     -1.149288      3.413994
  C      -3.788585     -1.577959      4.715701
  O      -3.931340     -2.816401      5.046697
  C      -6.416682     -4.190857      2.934174
  C      -6.807674     -3.343272      4.001227
  C      -7.918514     -2.510314      3.954013
  C      -8.119809     -1.701027      5.176891
  O      -8.941658     -0.814188      5.351611
  C      -8.742415     -2.485947      2.783492
  C      -9.990012     -1.709142      2.649922
  O     -10.678654     -1.716800      1.631577
  C      -8.325404     -3.260183      1.704178
  C      -7.177569     -4.068250      1.711796
  C      -6.733531     -4.506138      0.390610
  O      -5.643788     -4.996799      0.092269
  C      -2.032879     -5.243677      6.577571
  C      -0.787595     -5.478307      7.217094
  C      -0.550301     -5.116818      8.535005
  C       0.808265     -5.425436      9.084409
  O       1.768295     -5.656208      8.365769
  C      -1.592016     -4.546425      9.326319
  C      -1.425582     -4.040258     10.694433
  O      -0.365540     -3.880650     11.286982
  C      -2.856726     -4.433125      8.749042
  C      -3.106274     -4.765951      7.409549
  C      -4.468793     -4.836956      6.962437
  O      -4.843370     -5.134328      5.799817
  H      -2.907544     -2.123685      0.168186
  H      -3.388979      1.338727     -0.848811
  H      -3.744458      2.722582      2.747736
  H      -3.762171      0.910163      3.974981
  H      -3.989667     -0.838181      5.500674
  H      -6.238608     -3.392179      4.927039
  H      -7.393226     -1.963572      5.988464
  H     -10.286235     -1.109906      3.533198
  H      -8.910523     -3.190743      0.782637
  H      -7.472697     -4.271317     -0.412247
  H       0.049780     -5.896879      6.658969
  H       0.889376     -5.455037     10.188410
  H      -2.394609     -3.775132     11.187247
  H      -3.689227     -4.072172      9.360105
  H      -5.272399     -4.611969      7.714229
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.837358045032
  N      -2.924709     -3.397780      2.538458
  C      -2.525820     -4.165490      1.346164
  C      -1.965186     -5.495393      1.787336
  N      -2.923832     -6.159110      2.712205
  C      -4.061655     -6.755921      1.936805
  C      -5.381054     -6.426935      2.613231
  N      -5.362207     -5.047338      3.099377
  Mo     -3.647879     -4.517371      4.063160
  N      -2.211446     -5.451570      5.239011
  C      -1.365133     -6.459842      4.588507
  C      -2.228249     -7.167027      3.553214
  H      -1.011822     -7.204265      5.317538
  H      -0.470451     -6.003991      4.132052
  H      -3.002550     -7.752789      4.068877
  H      -1.629742     -7.850969      2.926840
  H      -6.208719     -6.605199      1.914492
  H      -5.545159     -7.083392      3.488247
  H      -4.071243     -6.307199      0.939614
  H      -3.912582     -7.841556      1.834927
  H      -1.745997     -3.634471      0.779154
  H      -3.398967     -4.294493      0.682549
  H      -1.025429     -5.325053      2.327584
  H      -1.754457     -6.148211      0.924350
  C      -3.124084     -2.047176      2.337100
  C      -3.042889     -1.476080      1.047641
  C      -3.159880     -0.114562      0.796305
  C      -3.149663      0.306521     -0.627642
  O      -2.962584     -0.482691     -1.550560
  C      -3.345656      0.788598      1.893828
  C      -3.388581      2.258378      1.811134
  O      -3.181462      2.950213      0.823098
  C      -3.490110      0.245893      3.161618
  C      -3.433863     -1.143433      3.424691
  C      -3.753019     -1.576655      4.724960
  O      -3.920179     -2.815902      5.048010
  C      -6.429337     -4.207682      2.924382
  C      -6.800913     -3.334872      3.978997
  C      -7.922101     -2.515241      3.939942
  C      -8.106959     -1.686583      5.152541
  O      -8.951188     -0.822709      5.339146
  C      -8.774630     -2.526473      2.789607
  C     -10.029502     -1.759097      2.664905
  O     -10.750047     -1.809705      1.669125
  C      -8.375052     -3.321044      1.718293
  C      -7.218912     -4.117334      1.716062
  C      -6.801224     -4.573813      0.392322
  O      -5.714527     -5.062296      0.076366
  C      -2.037825     -5.230895      6.569851
  C      -0.795518     -5.466754      7.216323
  C      -0.565549     -5.106315      8.536035
  C       0.790357     -5.414599      9.093378
  O       1.755874     -5.642435      8.380068
  C      -1.611987     -4.537899      9.323052
  C      -1.450765     -4.032952     10.691924
  O      -0.391308     -3.871539     11.286569
  C      -2.873787     -4.425385      8.739765
  C      -3.116405     -4.757218      7.398615
  C      -4.477646     -4.830784      6.947978
  O      -4.851794     -5.130263      5.785570
  H      -2.919372     -2.102185      0.165495
  H      -3.325497      1.383370     -0.817816
  H      -3.630764      2.738394      2.794191
  H      -3.678239      0.917226      4.005004
  H      -3.933141     -0.838125      5.516190
  H      -6.207780     -3.353533      4.891664
  H      -7.350742     -1.917099      5.947382
  H     -10.300693     -1.126067      3.533483
  H      -8.981770     -3.276387      0.808714
  H      -7.567530     -4.372525     -0.394882
  H       0.046299     -5.884074      6.663183
  H       0.861295     -5.459642     10.198346
  H      -2.421516     -3.765649     11.181301
  H      -3.710453     -4.066604      9.347422
  H      -5.275817     -4.606859      7.701929
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.837750590137
  N      -2.931313     -3.393260      2.523403
  C      -2.552968     -4.160496      1.323425
  C      -1.986589     -5.490372      1.757646
  N      -2.931168     -6.150707      2.699788
  C      -4.072288     -6.764360      1.943472
  C      -5.383298     -6.435612      2.634966
  N      -5.366000     -5.045415      3.091467
  Mo     -3.652240     -4.504548      4.048017
  N      -2.208775     -5.425282      5.227718
  C      -1.355501     -6.423432      4.568981
  C      -2.218172     -7.145250      3.542877
  H      -0.985238     -7.163599      5.293843
  H      -0.472466     -5.953887      4.103889
  H      -2.981720     -7.736149      4.068806
  H      -1.616795     -7.826476      2.916359
  H      -6.222071     -6.635356      1.956097
  H      -5.524283     -7.074000      3.527108
  H      -4.097414     -6.326447      0.941659
  H      -3.917131     -7.850149      1.852195
  H      -1.783194     -3.629769      0.743258
  H      -3.438961     -4.291211      0.676920
  H      -1.038358     -5.317912      2.282594
  H      -1.790471     -6.146356      0.893915
  C      -3.108285     -2.036556      2.334615
  C      -3.032661     -1.457056      1.048945
  C      -3.117126     -0.090195      0.810659
  C      -3.108576      0.344752     -0.609261
  O      -2.967467     -0.442327     -1.542427
  C      -3.264599      0.806445      1.919127
  C      -3.275036      2.277625      1.850948
  O      -3.064679      2.974406      0.867027
  C      -3.406674      0.256026      3.183860
  C      -3.384272     -1.136792      3.434630
  C      -3.700896     -1.572571      4.734443
  O      -3.900773     -2.809810      5.050540
  C      -6.443970     -4.219964      2.918225
  C      -6.804495     -3.324101      3.958110
  C      -7.941984     -2.526737      3.925517
  C      -8.122884     -1.683928      5.129323
  O      -8.981344     -0.835017      5.319100
  C      -8.819243     -2.579910      2.794990
  C     -10.084519     -1.828872      2.674374
  O     -10.831325     -1.926980      1.701494
  C      -8.429111     -3.392950      1.734003
  C      -7.259697     -4.169079      1.724703
  C      -6.858453     -4.642551      0.401741
  O      -5.765832     -5.109114      0.073273
  C      -2.041617     -5.216013      6.560706
  C      -0.801297     -5.449908      7.212092
  C      -0.580138     -5.095430      8.534849
  C       0.774128     -5.399751      9.098089
  O       1.751533     -5.590477      8.389911
  C      -1.633316     -4.536689      9.320096
  C      -1.478336     -4.037946     10.691487
  O      -0.420287     -3.876973     11.289157
  C      -2.892634     -4.427825      8.731793
  C      -3.127069     -4.753995      7.387646
  C      -4.486685     -4.827851      6.932657
  O      -4.861009     -5.120640      5.769077
  H      -2.937402     -2.078855      0.160226
  H      -3.257331      1.428068     -0.787018
  H      -3.480598      2.753187      2.844592
  H      -3.567305      0.924507      4.035279
  H      -3.851072     -0.835184      5.532969
  H      -6.191287     -3.308433      4.857684
  H      -7.322081     -1.856362      5.894843
  H     -10.337328     -1.161990      3.523141
  H      -9.054711     -3.377667      0.836204
  H      -7.647746     -4.482045     -0.372310
  H       0.046419     -5.860089      6.662404
  H       0.839880     -5.446515     10.203625
  H      -2.451483     -3.782499     11.182603
  H      -3.734277     -4.076548      9.337214
  H      -5.279355     -4.606678      7.690919
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.838164443988
  N      -2.937858     -3.385397      2.509949
  C      -2.580777     -4.153549      1.303731
  C      -2.009018     -5.483319      1.732011
  N      -2.939161     -6.139931      2.691529
  C      -4.084402     -6.768763      1.955179
  C      -5.386491     -6.438303      2.661112
  N      -5.370431     -5.038388      3.087333
  Mo     -3.655266     -4.487153      4.036497
  N      -2.205088     -5.396980      5.218670
  C      -1.345181     -6.383386      4.550957
  C      -2.208083     -7.120425      3.536046
  H      -0.956427     -7.118193      5.271500
  H      -0.475067     -5.900359      4.075930
  H      -2.960142     -7.716802      4.072207
  H      -1.604046     -7.798232      2.908571
  H      -6.235603     -6.657753      2.002243
  H      -5.505559     -7.058019      3.569301
  H      -4.123987     -6.341730      0.948898
  H      -3.923815     -7.854463      1.874804
  H      -1.820625     -3.623745      0.710919
  H      -3.478086     -4.285960      0.673559
  H      -1.052206     -5.309917      2.240891
  H      -1.828605     -6.143065      0.868087
  C      -3.093362     -2.023807      2.331553
  C      -3.024255     -1.437218      1.049210
  C      -3.078032     -0.066580      0.822046
  C      -3.072974      0.379521     -0.593988
  O      -2.968336     -0.404029     -1.534547
  C      -3.187602      0.823718      1.939900
  C      -3.165931      2.295477      1.884588
  O      -2.964418      2.996474      0.902243
  C      -3.325558      0.267061      3.202097
  C      -3.334874     -1.128007      3.442791
  C      -3.647570     -1.564496      4.742690
  O      -3.879693     -2.797683      5.053933
  C      -6.458716     -4.228363      2.915216
  C      -6.812116     -3.308364      3.936644
  C      -7.964064     -2.531946      3.905181
  C      -8.141893     -1.668608      5.095341
  O      -9.035653     -0.861612      5.301264
  C      -8.861377     -2.628883      2.793545
  C     -10.135609     -1.893881      2.671734
  O     -10.902329     -2.038000      1.720649
  C      -8.477465     -3.463084      1.746846
  C      -7.296156     -4.220258      1.736038
  C      -6.906551     -4.716347      0.417992
  O      -5.808734     -5.164396      0.083128
  C      -2.042760     -5.199347      6.553181
  C      -0.803259     -5.430959      7.206461
  C      -0.589237     -5.086157      8.532676
  C       0.764611     -5.386333      9.098076
  O       1.742655     -5.576500      8.391159
  C      -1.648502     -4.540545      9.319154
  C      -1.499360     -4.051365     10.694238
  O      -0.442778     -3.883301     11.292132
  C      -2.906133     -4.434227      8.727537
  C      -3.133968     -4.750766      7.379727
  C      -4.492624     -4.821605      6.921934
  O      -4.868488     -5.105614      5.757485
  H      -2.956531     -2.054837      0.155234
  H      -3.190781      1.467892     -0.761502
  H      -3.347008      2.766444      2.884861
  H      -3.458142      0.932897      4.060080
  H      -3.768048     -0.829130      5.548016
  H      -6.183230     -3.257096      4.823581
  H      -7.328023     -1.812941      5.852512
  H     -10.374511     -1.193462      3.496610
  H      -9.118043     -3.479271      0.859958
  H      -7.712392     -4.595567     -0.345870
  H       0.049413     -5.830993      6.657239
  H       0.820032     -5.474687     10.201375
  H      -2.474063     -3.803852     11.185585
  H      -3.751628     -4.092429      9.332582
  H      -5.280735     -4.605014      7.686261
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.838455074611
  N      -2.945279     -3.377501      2.502772
  C      -2.603560     -4.146127      1.292030
  C      -2.020307     -5.473052      1.715863
  N      -2.936742     -6.133876      2.686671
  C      -4.083032     -6.775868      1.962413
  C      -5.382688     -6.447685      2.673952
  N      -5.374824     -5.041477      3.082453
  Mo     -3.659099     -4.478366      4.029088
  N      -2.202814     -5.380036      5.213120
  C      -1.331097     -6.350675      4.538561
  C      -2.189694     -7.102245      3.532021
  H      -0.923189     -7.078724      5.255566
  H      -0.473880     -5.852622      4.055882
  H      -2.931834     -7.705962      4.073604
  H      -1.580344     -7.774773      2.903839
  H      -6.235859     -6.681743      2.025370
  H      -5.488593     -7.057201      3.590708
  H      -4.130927     -6.355266      0.954000
  H      -3.914608     -7.860915      1.888464
  H      -1.853317     -3.614088      0.688623
  H      -3.508574     -4.283422      0.673890
  H      -1.058335     -5.295551      2.213409
  H      -1.847588     -6.133789      0.851057
  C      -3.089289     -2.013106      2.332306
  C      -3.023760     -1.421432      1.052621
  C      -3.060767     -0.049059      0.832825
  C      -3.058073      0.404197     -0.580661
  O      -2.972866     -0.376630     -1.525947
  C      -3.149552      0.836127      1.956724
  C      -3.109034      2.307979      1.909937
  O      -2.913549      3.012463      0.928605
  C      -3.284458      0.274846      3.217389
  C      -3.310613     -1.121519      3.451223
  C      -3.622780     -1.560322      4.750351
  O      -3.873444     -2.792365      5.056679
  C      -6.470191     -4.241976      2.910296
  C      -6.803955     -3.291576      3.910096
  C      -7.959280     -2.520057      3.879630
  C      -8.116011     -1.624224      5.048848
  O      -9.020452     -0.830559      5.260725
  C      -8.879573     -2.651348      2.790715
  C     -10.155420     -1.918788      2.671538
  O     -10.945446     -2.098489      1.745601
  C      -8.514340     -3.514332      1.760583
  C      -7.331729     -4.269536      1.748174
  C      -6.969577     -4.802570      0.436561
  O      -5.877708     -5.256695      0.089889
  C      -2.046073     -5.191575      6.550029
  C      -0.806776     -5.421491      7.204310
  C      -0.598644     -5.087850      8.534394
  C       0.753838     -5.388736      9.103003
  O       1.739680     -5.550337      8.399515
  C      -1.662988     -4.554725      9.322338
  C      -1.519300     -4.076060     10.701656
  O      -0.464282     -3.908434     11.302903
  C      -2.919265     -4.447968      8.727750
  C      -3.141685     -4.753043      7.376150
  C      -4.499567     -4.820777      6.915776
  O      -4.874840     -5.101262      5.750516
  H      -2.970696     -2.035901      0.155385
  H      -3.157009      1.495346     -0.742202
  H      -3.275623      2.775451      2.914437
  H      -3.400736      0.938437      4.079578
  H      -3.728734     -0.828777      5.560993
  H      -6.155105     -3.209044      4.780720
  H      -7.279200     -1.734452      5.786658
  H     -10.373956     -1.186717      3.474295
  H      -9.172409     -3.557795      0.887423
  H      -7.786870     -4.690639     -0.316497
  H       0.049576     -5.811416      6.653439
  H       0.805851     -5.484538     10.205898
  H      -2.496029     -3.838471     11.193943
  H      -3.767849     -4.115031      9.333557
  H      -5.285979     -4.610165      7.682266
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.838630431065
  N      -2.952653     -3.369322      2.493778
  C      -2.624524     -4.138904      1.280128
  C      -2.033804     -5.464358      1.699505
  N      -2.936524     -6.126602      2.683126
  C      -4.085481     -6.780650      1.973483
  C      -5.380619     -6.451195      2.692573
  N      -5.376697     -5.038240      3.077096
  Mo     -3.660287     -4.466800      4.022246
  N      -2.202568     -5.364708      5.207044
  C      -1.319555     -6.319691      4.526315
  C      -2.173943     -7.084554      3.526793
  H      -0.892977     -7.040872      5.239367
  H      -0.475329     -5.807264      4.036215
  H      -2.906143     -7.696097      4.072805
  H      -1.559527     -7.750605      2.896583
  H      -6.239072     -6.700913      2.057204
  H      -5.472174     -7.046699      3.620125
  H      -4.143273     -6.369000      0.961745
  H      -3.912237     -7.865343      1.908045
  H      -1.881732     -3.606204      0.668284
  H      -3.535270     -4.279203      0.671133
  H      -1.065430     -5.285431      2.183594
  H      -1.872235     -6.126403      0.833563
  C      -3.083206     -2.002699      2.329637
  C      -3.018238     -1.405521      1.052608
  C      -3.037467     -0.031503      0.840214
  C      -3.030889      0.430306     -0.570223
  O      -2.945775     -0.344180     -1.520670
  C      -3.108790      0.848399      1.969692
  C      -3.050853      2.320088      1.930529
  O      -2.846838      3.027474      0.953170
  C      -3.243298      0.282533      3.228008
  C      -3.286573     -1.114738      3.454996
  C      -3.598849     -1.554959      4.753375
  O      -3.867761     -2.784933      5.055996
  C      -6.479743     -4.250381      2.906736
  C      -6.800207     -3.276578      3.887904
  C      -7.963062     -2.516370      3.861892
  C      -8.108705     -1.597780      5.015169
  O      -9.016493     -0.807651      5.224583
  C      -8.903234     -2.680866      2.795221
  C     -10.184662     -1.957368      2.680579
  O     -10.991176     -2.165830      1.775332
  C      -8.550840     -3.565534      1.778823
  C      -7.363236     -4.312583      1.762646
  C      -7.022321     -4.876760      0.457911
  O      -5.933223     -5.328983      0.101198
  C      -2.050942     -5.184503      6.546020
  C      -0.810322     -5.406228      7.200034
  C      -0.608103     -5.082914      8.533619
  C       0.746422     -5.373014      9.102116
  O       1.733456     -5.525705      8.398464
  C      -1.679263     -4.567927      9.323765
  C      -1.541546     -4.099636     10.707300
  O      -0.488595     -3.927976     11.310736
  C      -2.934747     -4.465461      8.727158
  C      -3.151663     -4.760161      7.372255
  C      -4.508106     -4.826427      6.908064
  O      -4.880158     -5.095411      5.739775
  H      -2.978168     -2.016367      0.152173
  H      -3.106497      1.524220     -0.724573
  H      -3.192515      2.783555      2.940621
  H      -3.345561      0.943436      4.093907
  H      -3.690359     -0.826670      5.568491
  H      -6.134698     -3.165808      4.742951
  H      -7.240397     -1.657424      5.721651
  H     -10.388273     -1.199004      3.462448
  H      -9.224885     -3.635558      0.919843
  H      -7.852736     -4.784319     -0.283145
  H       0.051184     -5.779784      6.646194
  H       0.793260     -5.500342     10.202025
  H      -2.520685     -3.877720     11.201834
  H      -3.786778     -4.143407      9.333765
  H      -5.294550     -4.619879      7.672723
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.838850250118
  N      -2.959289     -3.361759      2.480309
  C      -2.644659     -4.133104      1.264750
  C      -2.052648     -5.459605      1.679207
  N      -2.942505     -6.118911      2.676999
  C      -4.096115     -6.783533      1.985301
  C      -5.383324     -6.449123      2.715559
  N      -5.379229     -5.028836      3.068482
  Mo     -3.661382     -4.452751      4.012253
  N      -2.206185     -5.350147      5.197587
  C      -1.314409     -6.291975      4.511230
  C      -2.165826     -7.068184      3.517395
  H      -0.871018     -7.006988      5.219933
  H      -0.482379     -5.766994      4.013974
  H      -2.888859     -7.686493      4.067716
  H      -1.547712     -7.728204      2.884547
  H      -6.248888     -6.716820      2.098304
  H      -5.457504     -7.025581      3.656673
  H      -4.166648     -6.383413      0.969271
  H      -3.921207     -7.868246      1.930360
  H      -1.906298     -3.602835      0.645889
  H      -3.560305     -4.272598      0.663114
  H      -1.076706     -5.282838      2.148323
  H      -1.905876     -6.123419      0.812136
  C      -3.068695     -1.992611      2.322435
  C      -2.995446     -1.388302      1.049006
  C      -2.987385     -0.012497      0.845792
  C      -2.962254      0.460536     -0.560497
  O      -2.882065     -0.305802     -1.517415
  C      -3.043034      0.860917      1.981393
  C      -2.959662      2.331799      1.951870
  O      -2.751646      3.042949      0.978604
  C      -3.186546      0.289574      3.235511
  C      -3.254306     -1.108175      3.453822
  C      -3.570643     -1.548997      4.750617
  O      -3.861130     -2.775257      5.049634
  C      -6.490594     -4.253724      2.901916
  C      -6.805348     -3.265489      3.870476
  C      -7.980009     -2.523719      3.854322
  C      -8.122728     -1.593015      4.998743
  O      -9.052155     -0.834697      5.226803
  C      -8.937128     -2.719712      2.808802
  C     -10.228595     -2.013049      2.702048
  O     -11.050114     -2.252543      1.818872
  C      -8.591007     -3.616877      1.801054
  C      -7.393880     -4.347826      1.776140
  C      -7.067351     -4.931177      0.475586
  O      -5.978401     -5.373506      0.108512
  C      -2.058989     -5.176973      6.537945
  C      -0.816745     -5.387673      7.191865
  C      -0.620389     -5.072958      8.528241
  C       0.737022     -5.348305      9.095700
  O       1.731789     -5.455278      8.395107
  C      -1.698687     -4.576944      9.320079
  C      -1.566594     -4.117629     10.707206
  O      -0.515741     -3.937483     11.310906
  C      -2.953439     -4.481435      8.721783
  C      -3.164896     -4.767766      7.364190
  C      -4.519616     -4.832917      6.895299
  O      -4.887186     -5.085834      5.722915
  H      -2.966789     -1.993999      0.144658
  H      -3.024682      1.556244     -0.705931
  H      -3.096366      2.791089      2.964374
  H      -3.275712      0.946685      4.105446
  H      -3.646158     -0.823383      5.569651
  H      -6.126900     -3.130500      4.711420
  H      -7.243931     -1.630567      5.693389
  H     -10.427455     -1.241091      3.471381
  H      -9.278994     -3.710886      0.955865
  H      -7.915112     -4.874128     -0.248872
  H       0.050314     -5.743612      6.635681
  H       0.786033     -5.475742     10.195399
  H      -2.547824     -3.911269     11.203831
  H      -3.808923     -4.169802      9.328502
  H      -5.307658     -4.630197      7.656908
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.838990812664
  N      -2.968754     -3.351167      2.474369
  C      -2.669337     -4.125917      1.256864
  C      -2.069431     -5.451282      1.665985
  N      -2.944911     -6.114079      2.674325
  C      -4.101403     -6.788162      1.996625
  C      -5.383082     -6.455682      2.736039
  N      -5.388690     -5.030173      3.067464
  Mo     -3.666206     -4.443296      4.008184
  N      -2.206701     -5.338060      5.192190
  C      -1.306407     -6.266052      4.499347
  C      -2.154096     -7.053857      3.512283
  H      -0.844613     -6.973680      5.203631
  H      -0.487564     -5.728034      3.994051
  H      -2.868490     -7.678610      4.066587
  H      -1.532407     -7.708593      2.877471
  H      -6.252293     -6.741605      2.132633
  H      -5.441662     -7.019631      3.685866
  H      -4.183373     -6.393966      0.979154
  H      -3.920557     -7.872187      1.946367
  H      -1.938472     -3.597451      0.627591
  H      -3.591008     -4.266832      0.664806
  H      -1.088199     -5.272946      2.123575
  H      -1.931053     -6.114965      0.797344
  C      -3.061603     -1.979642      2.322453
  C      -2.978885     -1.369304      1.052505
  C      -2.951701      0.007387      0.856880
  C      -2.912428      0.488354     -0.546115
  O      -2.831559     -0.272786     -1.507356
  C      -3.000291      0.875236      1.997331
  C      -2.898605      2.345298      1.977368
  O      -2.687120      3.061045      1.008116
  C      -3.153254      0.298910      3.248128
  C      -3.237313     -1.099348      3.458942
  C      -3.558848     -1.541953      4.753539
  O      -3.861168     -2.766794      5.048758
  C      -6.506871     -4.267020      2.898351
  C      -6.812040     -3.255501      3.846196
  C      -7.991436     -2.521657      3.830921
  C      -8.121271     -1.565542      4.956020
  O      -9.057263     -0.816651      5.188762
  C      -8.963705     -2.747610      2.805558
  C     -10.260129     -2.050136      2.700666
  O     -11.094471     -2.317481      1.837531
  C      -8.626962     -3.666092      1.813869
  C      -7.426333     -4.391474      1.788013
  C      -7.116952     -4.999934      0.494618
  O      -6.032945     -5.447727      0.119379
  C      -2.060962     -5.169690      6.533722
  C      -0.817349     -5.378708      7.186620
  C      -0.622181     -5.072389      8.524997
  C       0.735977     -5.347867      9.091135
  O       1.731667     -5.443068      8.390132
  C      -1.702591     -4.585972      9.319824
  C      -1.572623     -4.134702     10.709892
  O      -0.522349     -3.953626     11.314532
  C      -2.957285     -4.489417      8.721318
  C      -3.167822     -4.766416      7.361215
  C      -4.523439     -4.825808      6.893068
  O      -4.892434     -5.076455      5.720157
  H      -2.954514     -1.970384      0.144936
  H      -2.967467      1.585138     -0.685732
  H      -3.040083      2.800338      2.991183
  H      -3.235807      0.952620      4.121340
  H      -3.628014     -0.819720      5.576096
  H      -6.120741     -3.094750      4.671895
  H      -7.226438     -1.573925      5.630844
  H     -10.450184     -1.257392      3.450722
  H      -9.325560     -3.782641      0.980216
  H      -7.975833     -4.958681     -0.217878
  H       0.050961     -5.726590      6.627198
  H       0.783994     -5.490944     10.188909
  H      -2.554611     -3.933114     11.207021
  H      -3.813453     -4.183358      9.330065
  H      -5.311717     -4.631736      7.659683
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839045575121
  N      -2.976081     -3.341424      2.468989
  C      -2.683475     -4.118768      1.251493
  C      -2.079914     -5.444082      1.656513
  N      -2.946077     -6.110540      2.670044
  C      -4.104342     -6.789305      2.000377
  C      -5.381750     -6.459949      2.747526
  N      -5.396815     -5.031367      3.064039
  Mo     -3.669929     -4.437293      4.003984
  N      -2.210150     -5.332676      5.185771
  C      -1.303506     -6.251835      4.490181
  C      -2.147014     -7.045962      3.504724
  H      -0.830151     -6.954369      5.191672
  H      -0.493286     -5.704616      3.980536
  H      -2.856426     -7.675850      4.059706
  H      -1.522183     -7.696091      2.868393
  H      -6.253299     -6.761526      2.155016
  H      -5.427504     -7.015000      3.703322
  H      -4.195360     -6.397350      0.982834
  H      -3.920168     -7.872941      1.950647
  H      -1.955416     -3.593108      0.616557
  H      -3.607585     -4.258814      0.662892
  H      -1.095570     -5.265398      2.107590
  H      -1.945787     -6.105753      0.785545
  C      -3.054035     -1.968668      2.320982
  C      -2.953787     -1.353008      1.054648
  C      -2.912209      0.024250      0.865664
  C      -2.850379      0.512119     -0.534019
  O      -2.750722     -0.243519     -1.498050
  C      -2.968042      0.887962      2.009015
  C      -2.856877      2.357454      1.996771
  O      -2.608005      3.074861      1.037513
  C      -3.137494      0.307317      3.255730
  C      -3.232113     -1.091341      3.459670
  C      -3.563393     -1.536287      4.751059
  O      -3.868889     -2.761613      5.042800
  C      -6.521078     -4.278477      2.895052
  C      -6.817512     -3.250360      3.828464
  C      -8.000574     -2.522857      3.818135
  C      -8.117634     -1.547136      4.927791
  O      -9.059597     -0.808363      5.169329
  C      -8.986787     -2.771503      2.811427
  C     -10.288612     -2.083136      2.713796
  O     -11.135618     -2.371984      1.869863
  C      -8.659484     -3.705599      1.831049
  C      -7.456130     -4.426545      1.800394
  C      -7.164791     -5.058493      0.513905
  O      -6.086514     -5.513637      0.130528
  C      -2.065243     -5.164569      6.527762
  C      -0.820490     -5.370587      7.180450
  C      -0.625575     -5.066967      8.519411
  C       0.734128     -5.339147      9.084029
  O       1.729831     -5.427695      8.382025
  C      -1.707466     -4.586118      9.315589
  C      -1.578818     -4.138522     10.707102
  O      -0.528943     -3.960640     11.313615
  C      -2.962170     -4.490372      8.717018
  C      -3.172487     -4.764083      7.356034
  C      -4.528397     -4.822306      6.887862
  O      -4.896328     -5.070804      5.713584
  H      -2.924170     -1.949705      0.144294
  H      -2.905286      1.609676     -0.668892
  H      -2.985326      2.806685      3.015047
  H      -3.224188      0.957744      4.131119
  H      -3.636290     -0.815741      5.574764
  H      -6.113932     -3.071187      4.640065
  H      -7.214162     -1.542348      5.591118
  H     -10.473377     -1.280666      3.455051
  H      -9.368963     -3.839876      1.009223
  H      -8.034694     -5.030235     -0.186125
  H       0.048667     -5.713495      6.619088
  H       0.782705     -5.489071     10.181014
  H      -2.561598     -3.942334     11.205105
  H      -3.818860     -4.187052      9.326644
  H      -5.319225     -4.633912      7.654436
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839142452364
  N      -2.980070     -3.334745      2.462404
  C      -2.687953     -4.112599      1.245410
  C      -2.085863     -5.439419      1.647128
  N      -2.947839     -6.107464      2.662295
  C      -4.107095     -6.787844      1.996851
  C      -5.380407     -6.461387      2.751895
  N      -5.401833     -5.030863      3.056513
  Mo     -3.672309     -4.434091      3.997259
  N      -2.216180     -5.331234      5.176884
  C      -1.305707     -6.246884      4.481671
  C      -2.145637     -7.042614      3.493602
  H      -0.828136     -6.947440      5.181907
  H      -0.499221     -5.694460      3.971469
  H      -2.852920     -7.675979      4.047446
  H      -1.518396     -7.689279      2.856340
  H      -6.254546     -6.776076      2.169789
  H      -5.414063     -7.008576      3.712728
  H      -4.205898     -6.396235      0.979776
  H      -3.922416     -7.871404      1.945329
  H      -1.958709     -3.590318      0.609183
  H      -3.612322     -4.249318      0.656294
  H      -1.099806     -5.261867      2.095143
  H      -1.954027     -6.098203      0.773595
  C      -3.041998     -1.961481      2.318239
  C      -2.918575     -1.340102      1.056357
  C      -2.861749      0.037699      0.875062
  C      -2.769481      0.533620     -0.520150
  O      -2.644543     -0.215083     -1.486568
  C      -2.930126      0.897118      2.020730
  C      -2.808229      2.365692      2.016023
  O      -2.553356      3.086677      1.061048
  C      -3.122688      0.312061      3.261805
  C      -3.227526     -1.086825      3.458028
  C      -3.572019     -1.534770      4.745279
  O      -3.878779     -2.760973      5.032940
  C      -6.531822     -4.286757      2.891934
  C      -6.821179     -3.249667      3.818550
  C      -8.009283     -2.530877      3.819911
  C      -8.117283     -1.545456      4.921919
  O      -9.057782     -0.805552      5.165470
  C      -9.009115     -2.797548      2.831441
  C     -10.318046     -2.120722      2.747825
  O     -11.173974     -2.420410      1.916715
  C      -8.690371     -3.739974      1.856082
  C      -7.482951     -4.453510      1.814204
  C      -7.208999     -5.103983      0.532966
  O      -6.134873     -5.560391      0.139610
  C      -2.072519     -5.161080      6.518661
  C      -0.827484     -5.362000      7.172732
  C      -0.633634     -5.055717      8.511197
  C       0.728042     -5.319566      9.075033
  O       1.723244     -5.406911      8.372150
  C      -1.717516     -4.577765      9.306430
  C      -1.590480     -4.129850     10.698028
  O      -0.541125     -3.947554     11.304057
  C      -2.971824     -4.486117      8.707054
  C      -3.180946     -4.762738      7.346671
  C      -4.535813     -4.825914      6.876398
  O      -4.899652     -5.069887      5.699775
  H      -2.880168     -1.931717      0.142988
  H      -2.825800      1.632090     -0.649349
  H      -2.971660      2.813695      3.029932
  H      -3.218144      0.958621      4.139182
  H      -3.652445     -0.814651      5.568622
  H      -6.105782     -3.057977      4.617166
  H      -7.199108     -1.519560      5.564288
  H     -10.496267     -1.310815      3.482995
  H      -9.412091     -3.888707      1.047489
  H      -8.091510     -5.093169     -0.151909
  H       0.043235     -5.701807      6.611892
  H       0.777083     -5.472613     10.171784
  H      -2.574027     -3.932090     11.194081
  H      -3.829757     -4.183843      9.315504
  H      -5.330472     -4.638751      7.637117
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839170514571
  N      -2.980262     -3.332501      2.461329
  C      -2.692874     -4.110534      1.243039
  C      -2.089784     -5.437407      1.643352
  N      -2.950455     -6.105493      2.659021
  C      -4.110036     -6.786706      1.995551
  C      -5.381065     -6.463279      2.755384
  N      -5.406649     -5.031723      3.055852
  Mo     -3.675293     -4.432473      3.994841
  N      -2.216726     -5.326324      5.173580
  C      -1.306911     -6.242488      4.477909
  C      -2.147394     -7.038945      3.491129
  H      -0.829388     -6.943148      5.178039
  H      -0.500839     -5.689742      3.967516
  H      -2.853748     -7.671917      4.046663
  H      -1.520375     -7.686403      2.854495
  H      -6.256674     -6.783660      2.179119
  H      -5.407359     -7.007087      3.718419
  H      -4.212492     -6.393259      0.979376
  H      -3.923911     -7.869840      1.941150
  H      -1.965605     -3.589919      0.603450
  H      -3.620059     -4.246517      0.658486
  H      -1.103517     -5.258636      2.090474
  H      -1.958005     -6.095785      0.769565
  C      -3.034712     -1.958796      2.319839
  C      -2.908031     -1.335233      1.059540
  C      -2.845318      0.042660      0.881394
  C      -2.751921      0.540784     -0.512853
  O      -2.631941     -0.207093     -1.480384
  C      -2.910742      0.899896      2.028745
  C      -2.782543      2.367919      2.027895
  O      -2.521377      3.089894      1.075515
  C      -3.107406      0.312880      3.268296
  C      -3.218120     -1.085974      3.461416
  C      -3.566310     -1.534922      4.747389
  O      -3.876892     -2.760244      5.033238
  C      -6.538381     -4.291459      2.890619
  C      -6.827465     -3.249324      3.812124
  C      -8.018692     -2.535897      3.815351
  C      -8.125277     -1.544970      4.912617
  O      -9.067339     -0.807759      5.157585
  C      -9.022396     -2.813246      2.833576
  C     -10.334302     -2.142422      2.752362
  O     -11.194797     -2.453934      1.930447
  C      -8.703373     -3.758576      1.861410
  C      -7.492540     -4.465992      1.816560
  C      -7.218829     -5.113999      0.534254
  O      -6.142143     -5.558791      0.135111
  C      -2.072907     -5.156521      6.514837
  C      -0.828979     -5.360847      7.169909
  C      -0.634831     -5.053090      8.507843
  C       0.725398     -5.322314      9.072746
  O       1.720698     -5.412853      8.370634
  C      -1.717289     -4.570214      9.302275
  C      -1.589211     -4.120359     10.692971
  O      -0.539497     -3.941254     11.299223
  C      -2.971344     -4.477278      8.702604
  C      -3.180764     -4.755632      7.342672
  C      -4.535762     -4.819696      6.873346
  O      -4.901383     -5.067143      5.697999
  H      -2.872864     -1.924415      0.144576
  H      -2.804831      1.639465     -0.640157
  H      -2.945944      2.813936      3.042541
  H      -3.201455      0.957696      4.147004
  H      -3.647243     -0.814946      5.570848
  H      -6.109095     -3.050145      4.606003
  H      -7.203034     -1.510644      5.548608
  H     -10.512727     -1.330091      3.484538
  H      -9.427540     -3.913397      1.056210
  H      -8.104927     -5.112900     -0.145865
  H       0.040973     -5.705283      6.610816
  H       0.773283     -5.473307     10.169663
  H      -2.572171     -3.920336     11.188997
  H      -3.828997     -4.172911      9.310231
  H      -5.330011     -4.633045      7.635437
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839178164011
  N      -2.978536     -3.329988      2.460597
  C      -2.691241     -4.106968      1.241205
  C      -2.089678     -5.434662      1.640658
  N      -2.953033     -6.103234      2.653090
  C      -4.112240     -6.782189      1.987524
  C      -5.381283     -6.464398      2.752606
  N      -5.411660     -5.032591      3.053365
  Mo     -3.677916     -4.432272      3.991863
  N      -2.217538     -5.323469      5.168523
  C      -1.310448     -6.243798      4.473921
  C      -2.152472     -7.037677      3.486496
  H      -0.838470     -6.946847      5.175490
  H      -0.500872     -5.694136      3.965894
  H      -2.859792     -7.669276      4.042398
  H      -1.526397     -7.686661      2.850450
  H      -6.258589     -6.788940      2.181697
  H      -5.399494     -7.007167      3.716495
  H      -4.216750     -6.382447      0.973897
  H      -3.925209     -7.864774      1.925642
  H      -1.963151     -3.587667      0.601754
  H      -3.619296     -4.241196      0.657914
  H      -1.104674     -5.255473      2.090412
  H      -1.955399     -6.091770      0.766288
  C      -3.025201     -1.955850      2.321758
  C      -2.890307     -1.330016      1.063545
  C      -2.822459      0.048074      0.888812
  C      -2.723026      0.548575     -0.504232
  O      -2.602463     -0.198337     -1.472350
  C      -2.891275      0.903074      2.037342
  C      -2.758003      2.370582      2.040376
  O      -2.481533      3.092396      1.092253
  C      -3.096496      0.314022      3.274613
  C      -3.211672     -1.084916      3.464314
  C      -3.567272     -1.535413      4.747636
  O      -3.878599     -2.760847      5.030815
  C      -6.546337     -4.297525      2.890988
  C      -6.833805     -3.250417      3.807855
  C      -8.028474     -2.542937      3.815196
  C      -8.131033     -1.544694      4.906319
  O      -9.073870     -0.809336      5.153284
  C      -9.038367     -2.832450      2.843122
  C     -10.354005     -2.168783      2.768417
  O     -11.214613     -2.480992      1.946885
  C      -8.720993     -3.781223      1.874043
  C      -7.506353     -4.481529      1.823435
  C      -7.236408     -5.129177      0.540423
  O      -6.157838     -5.561503      0.133100
  C      -2.073421     -5.152304      6.509357
  C      -0.830801     -5.358693      7.165662
  C      -0.636774     -5.047571      8.502883
  C       0.721954     -5.320898      9.069587
  O       1.717619     -5.415400      8.368547
  C      -1.718109     -4.559242      9.295738
  C      -1.589550     -4.106039     10.685134
  O      -0.539639     -3.924784     11.290430
  C      -2.972137     -4.466957      8.695640
  C      -3.181405     -4.749031      7.336564
  C      -4.535979     -4.816028      6.867263
  O      -4.902423     -5.067242      5.692734
  H      -2.853614     -1.916490      0.146988
  H      -2.775549      1.647357     -0.630024
  H      -2.924244      2.814831      3.055237
  H      -3.193490      0.956986      4.154339
  H      -3.654369     -0.815314      5.570382
  H      -6.110135     -3.042541      4.594598
  H      -7.206302     -1.506583      5.538505
  H     -10.526624     -1.346437      3.490598
  H      -9.450239     -3.944026      1.074978
  H      -8.127574     -5.138916     -0.132867
  H       0.038707     -5.708707      6.609344
  H       0.769164     -5.464211     10.167436
  H      -2.572096     -3.899931     11.179346
  H      -3.829987     -4.160589      9.301903
  H      -5.331165     -4.630325      7.629868
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839199360043
  N      -2.975142     -3.327893      2.460026
  C      -2.683165     -4.103286      1.240451
  C      -2.085636     -5.432433      1.640260
  N      -2.954535     -6.101030      2.647561
  C      -4.113041     -6.775577      1.977093
  C      -5.381243     -6.462714      2.745306
  N      -5.414135     -5.031339      3.049511
  Mo     -3.678624     -4.432422      3.989496
  N      -2.218785     -5.323458      5.163971
  C      -1.315028     -6.249627      4.471818
  C      -2.158898     -7.038882      3.482137
  H      -0.851615     -6.956033      5.175883
  H      -0.499600     -5.705251      3.967620
  H      -2.868809     -7.668634      4.036790
  H      -1.534115     -7.689465      2.846356
  H      -6.259896     -6.788038      2.177047
  H      -5.394484     -7.006675      3.708660
  H      -4.217013     -6.368375      0.966369
  H      -3.926365     -7.857777      1.907000
  H      -1.951397     -3.584509      0.604963
  H      -3.609470     -4.235273      0.653960
  H      -1.102578     -5.254420      2.094637
  H      -1.948144     -6.088322      0.765404
  C      -3.016912     -1.953490      2.322259
  C      -2.872015     -1.326474      1.065655
  C      -2.801309      0.051839      0.892968
  C      -2.692615      0.553928     -0.499027
  O      -2.562562     -0.191862     -1.466779
  C      -2.878076      0.905696      2.041523
  C      -2.742025      2.372887      2.046423
  O      -2.453446      3.093593      1.101012
  C      -3.093095      0.315743      3.276690
  C      -3.209998     -1.083309      3.464325
  C      -3.573723     -1.534843      4.744800
  O      -3.883028     -2.761214      5.025768
  C      -6.551529     -4.300413      2.891923
  C      -6.836541     -3.250061      3.806030
  C      -8.033449     -2.546478      3.817602
  C      -8.131345     -1.541894      4.903467
  O      -9.072348     -0.803810      5.149033
  C      -9.048838     -2.844080      2.853691
  C     -10.366771     -2.184526      2.785602
  O     -11.236840     -2.510213      1.979355
  C      -8.734676     -3.796346      1.887027
  C      -7.517769     -4.492188      1.831218
  C      -7.253636     -5.143976      0.549168
  O      -6.174993     -5.570520      0.136065
  C      -2.074633     -5.149861      6.504797
  C      -0.832786     -5.355260      7.161821
  C      -0.639495     -5.040764      8.498632
  C       0.718757     -5.313174      9.066875
  O       1.714003     -5.414897      8.366074
  C      -1.720940     -4.550150      9.289880
  C      -1.592881     -4.093865     10.678278
  O      -0.543308     -3.914214     11.284728
  C      -2.975173     -4.460492      8.689403
  C      -3.183641     -4.746099      7.331066
  C      -4.537267     -4.816566      6.860315
  O      -4.902507     -5.068934      5.685316
  H      -2.829615     -1.911346      0.148347
  H      -2.744727      1.652884     -0.623994
  H      -2.919160      2.817507      3.059268
  H      -3.195847      0.957771      4.156505
  H      -3.669359     -0.814447      5.566310
  H      -6.107540     -3.035622      4.586228
  H      -7.205142     -1.502726      5.533577
  H     -10.542566     -1.370913      3.516932
  H      -9.469326     -3.965901      1.094246
  H      -8.148964     -5.160960     -0.118462
  H       0.037132     -5.707944      6.607713
  H       0.765625     -5.451076     10.165439
  H      -2.575756     -3.890346     11.172977
  H      -3.833736     -4.153627      9.294438
  H      -5.334610     -4.631444      7.621468
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839211539900
  N      -2.976058     -3.327433      2.459303
  C      -2.686263     -4.103155      1.239564
  C      -2.087265     -5.431959      1.639129
  N      -2.953374     -6.100126      2.649406
  C      -4.112258     -6.777212      1.981711
  C      -5.380429     -6.462595      2.749312
  N      -5.412821     -5.030295      3.049017
  Mo     -3.678241     -4.430540      3.989627
  N      -2.218809     -5.321588      5.164672
  C      -1.312329     -6.244163      4.471838
  C      -2.155147     -7.036210      3.483494
  H      -0.844880     -6.948592      5.175246
  H      -0.499542     -5.697314      3.966096
  H      -2.863720     -7.667103      4.038479
  H      -1.529540     -7.685711      2.847380
  H      -6.259124     -6.789310      2.181900
  H      -5.393780     -7.004314      3.713886
  H      -4.217292     -6.373001      0.969934
  H      -3.924671     -7.859466      1.914755
  H      -1.955797     -3.583592      0.603179
  H      -3.612917     -4.235932      0.653662
  H      -1.102903     -5.254209      2.090670
  H      -1.952489     -6.088830      0.764591
  C      -3.018847     -1.952948      2.321229
  C      -2.877095     -1.326133      1.064125
  C      -2.805240      0.052090      0.891111
  C      -2.698717      0.554045     -0.501035
  O      -2.571624     -0.191552     -1.469377
  C      -2.877456      0.906020      2.040129
  C      -2.739234      2.373123      2.044599
  O      -2.455531      3.093954      1.097785
  C      -3.089662      0.316450      3.275842
  C      -3.208164     -1.082497      3.463761
  C      -3.569842     -1.533485      4.745052
  O      -3.881940     -2.759459      5.026132
  C      -6.550419     -4.299513      2.890699
  C      -6.834488     -3.247987      3.803437
  C      -8.031494     -2.544564      3.815298
  C      -8.128864     -1.539273      4.900663
  O      -9.070649     -0.802533      5.147423
  C      -9.047614     -2.842879      2.852553
  C     -10.366033     -2.183981      2.784635
  O     -11.235142     -2.508542      1.976882
  C      -8.734211     -3.796170      1.886385
  C      -7.517600     -4.492656      1.831104
  C      -7.254833     -5.147190      0.549821
  O      -6.177447     -5.577872      0.137526
  C      -2.075636     -5.149921      6.506073
  C      -0.833088     -5.353523      7.162172
  C      -0.640424     -5.042185      8.499881
  C       0.718706     -5.311427      9.067285
  O       1.714159     -5.409206      8.366175
  C      -1.723262     -4.556819      9.292145
  C      -1.596282     -4.103399     10.681739
  O      -0.547152     -3.923426     11.288791
  C      -2.977456     -4.467146      8.691667
  C      -3.185285     -4.749292      7.332459
  C      -4.538872     -4.818576      6.860944
  O      -4.902966     -5.067988      5.685069
  H      -2.837463     -1.911462      0.146931
  H      -2.748239      1.653169     -0.625727
  H      -2.913361      2.818219      3.057803
  H      -3.188971      0.958842      4.155781
  H      -3.661034     -0.813922      5.567774
  H      -6.105104     -3.032390      4.583034
  H      -7.200334     -1.495581      5.526982
  H     -10.540322     -1.366571      3.512132
  H      -9.469248     -3.966617      1.094209
  H      -8.150560     -5.163681     -0.117316
  H       0.037670     -5.701279      6.606239
  H       0.765865     -5.454019     10.165300
  H      -2.579673     -3.905182     11.177620
  H      -3.836358     -4.162881      9.297545
  H      -5.336238     -4.633442      7.620962
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.837954361540
  N      -2.975665     -3.326489      2.458870
  C      -2.687166     -4.101887      1.238661
  C      -2.088045     -5.430986      1.637725
  N      -2.952883     -6.098515      2.649680
  C      -4.112081     -6.776838      1.983507
  C      -5.379849     -6.462088      2.751567
  N      -5.412727     -5.028976      3.047662
  Mo     -3.678430     -4.428804      3.989232
  N      -2.219062     -5.319488      5.164028
  C      -1.311121     -6.240403      4.471153
  C      -2.153593     -7.033831      3.483612
  H      -0.842071     -6.943852      5.174504
  H      -0.499213     -5.692824      3.964844
  H      -2.861755     -7.665068      4.038666
  H      -1.527782     -7.683003      2.847310
  H      -6.258896     -6.790630      2.185830
  H      -5.391781     -7.001877      3.717210
  H      -4.218414     -6.373298      0.971584
  H      -3.923472     -7.858959      1.917049
  H      -1.957008     -3.581656      0.602464
  H      -3.613747     -4.234409      0.652571
  H      -1.102807     -5.254173      2.087622
  H      -1.955388     -6.088528      0.763377
  C      -3.018135     -1.951760      2.321110
  C      -2.877828     -1.324574      1.063993
  C      -2.803818      0.053610      0.891398
  C      -2.698658      0.555949     -0.500651
  O      -2.574895     -0.189226     -1.469775
  C      -2.872124      0.907076      2.041158
  C      -2.730317      2.373930      2.046012
  O      -2.446648      3.094576      1.099037
  C      -3.083437      0.317430      3.276876
  C      -3.204557     -1.081438      3.464254
  C      -3.565959     -1.532307      4.745627
  O      -3.881077     -2.757941      5.025868
  C      -6.551243     -4.299581      2.889468
  C      -6.834212     -3.245830      3.799769
  C      -8.032194     -2.544078      3.812765
  C      -8.128156     -1.536127      4.895926
  O      -9.070474     -0.800308      5.143446
  C      -9.050278     -2.845930      2.853367
  C     -10.370253     -2.189829      2.787315
  O     -11.240538     -2.517624      1.982121
  C      -8.737833     -3.801024      1.888417
  C      -7.520598     -4.496414      1.832539
  C      -7.259889     -5.154184      0.552201
  O      -6.183183     -5.585839      0.139035
  C      -2.076773     -5.149519      6.506087
  C      -0.833802     -5.351924      7.161428
  C      -0.641700     -5.043232      8.499960
  C       0.717929     -5.310616      9.066784
  O       1.713651     -5.405118      8.365546
  C      -1.725709     -4.562104      9.292929
  C      -1.600102     -4.111288     10.683683
  O      -0.551438     -3.920110     11.288018
  C      -2.979858     -4.472217      8.692341
  C      -3.187053     -4.751426      7.332378
  C      -4.540516     -4.819853      6.859982
  O      -4.903393     -5.067271      5.683278
  H      -2.840751     -1.909727      0.146543
  H      -2.745366      1.655271     -0.624741
  H      -2.900979      2.819133      3.059784
  H      -3.179974      0.959784      4.157150
  H      -3.654077     -0.813847      5.569618
  H      -6.103342     -3.026829      4.577058
  H      -7.196698     -1.486700      5.517392
  H     -10.544434     -1.370863      3.513118
  H      -9.474276     -3.974242      1.098198
  H      -8.156588     -5.171342     -0.113606
  H       0.037618     -5.695965      6.604223
  H       0.765582     -5.454947     10.164564
  H      -2.583817     -3.907361     11.176629
  H      -3.839076     -4.170117      9.298859
  H      -5.338517     -4.635452      7.619092
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839219930215
  N      -2.974427     -3.325686      2.458996
  C      -2.684877     -4.100599      1.238629
  C      -2.086965     -5.430229      1.637683
  N      -2.953189     -6.097452      2.648596
  C      -4.112212     -6.774937      1.981390
  C      -5.379739     -6.461680      2.750261
  N      -5.413766     -5.028515      3.046642
  Mo     -3.679024     -4.428348      3.988739
  N      -2.219109     -5.318291      5.162869
  C      -1.312152     -6.240972      4.470819
  C      -2.155212     -7.033453      3.483050
  H      -0.845221     -6.945081      5.174932
  H      -0.498653     -5.695083      3.965250
  H      -2.864209     -7.663885      4.037962
  H      -1.529942     -7.683402      2.846983
  H      -6.259013     -6.790969      2.185390
  H      -5.390205     -7.001451      3.715939
  H      -4.218779     -6.369474      0.970249
  H      -3.923211     -7.856868      1.912730
  H      -1.953724     -3.580341      0.603610
  H      -3.610877     -4.232306      0.651555
  H      -1.102100     -5.254050      2.088651
  H      -1.953814     -6.087693      0.763351
  C      -3.015917     -1.950818      2.321508
  C      -2.874076     -1.323474      1.064672
  C      -2.799090      0.054692      0.892363
  C      -2.693161      0.557051     -0.499616
  O      -2.569778     -0.188242     -1.468706
  C      -2.867868      0.907969      2.042193
  C      -2.724392      2.374652      2.047357
  O      -2.438367      3.094855      1.100747
  C      -3.080988      0.318269      3.277598
  C      -3.203101     -1.080594      3.464589
  C      -3.566201     -1.531598      4.745338
  O      -3.881641     -2.757286      5.024779
  C      -6.553120     -4.300509      2.889226
  C      -6.835465     -3.245420      3.798225
  C      -8.034243     -2.545038      3.812308
  C      -8.128725     -1.534655      4.893374
  O      -9.071170     -0.799171      5.141383
  C      -9.054000     -2.849903      2.855661
  C     -10.375132     -2.196044      2.791800
  O     -11.245913     -2.524787      1.987508
  C      -8.742201     -3.805999      1.891479
  C      -7.524125     -4.499771      1.834177
  C      -7.264855     -5.158155      0.553872
  O      -6.188404     -5.589023      0.139245
  C      -2.076754     -5.148024      6.505062
  C      -0.833923     -5.350596      7.160461
  C      -0.641917     -5.041616      8.499026
  C       0.717519     -5.309161      9.066174
  O       1.713057     -5.405930      8.364949
  C      -1.725909     -4.560094      9.291687
  C      -1.600598     -4.108701     10.682338
  O      -0.552214     -3.923081     11.288882
  C      -2.980084     -4.470395      8.691035
  C      -3.187144     -4.749742      7.331033
  C      -4.540560     -4.818523      6.858580
  O      -4.903457     -5.066617      5.681828
  H      -2.836734     -1.908359      0.147059
  H      -2.739242      1.656404     -0.623755
  H      -2.896990      2.820189      3.060650
  H      -3.178043      0.960539      4.157893
  H      -3.655502     -0.813383      5.569412
  H      -6.103129     -3.023934      4.573453
  H      -7.196818     -1.484637      5.514133
  H     -10.548749     -1.376002      3.516534
  H      -9.479964     -3.981225      1.102922
  H      -8.163057     -5.178328     -0.109813
  H       0.037509     -5.695122      6.603583
  H       0.765295     -5.451192     10.164244
  H      -2.584620     -3.910979     11.177221
  H      -3.839355     -4.168257      9.297472
  H      -5.338988     -4.635377      7.618877
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839222924952
  N      -2.972676     -3.325153      2.458524
  C      -2.682594     -4.099503      1.237945
  C      -2.085638     -5.429492      1.636886
  N      -2.952812     -6.096253      2.647236
  C      -4.111707     -6.773194      1.979237
  C      -5.379062     -6.461169      2.748809
  N      -5.414243     -5.027894      3.044961
  Mo     -3.679280     -4.427814      3.987616
  N      -2.219394     -5.316737      5.161538
  C      -1.312719     -6.240521      4.470331
  C      -2.155774     -7.032638      3.482175
  H      -0.847035     -6.944873      5.175021
  H      -0.498269     -5.695554      3.965284
  H      -2.865343     -7.662580      4.036930
  H      -1.530669     -7.683099      2.846482
  H      -6.258410     -6.791512      2.184744
  H      -5.388229     -7.000632      3.714684
  H      -4.218739     -6.366224      0.968704
  H      -3.922372     -7.854949      1.908768
  H      -1.950817     -3.579226      0.603659
  H      -3.608278     -4.230525      0.650247
  H      -1.100898     -5.253905      2.088376
  H      -1.952445     -6.086931      0.762562
  C      -3.013146     -1.950226      2.321362
  C      -2.870491     -1.322631      1.064730
  C      -2.794419      0.055545      0.892799
  C      -2.688486      0.558245     -0.499042
  O      -2.566262     -0.186852     -1.468437
  C      -2.862723      0.908538      2.042843
  C      -2.717592      2.375033      2.048407
  O      -2.429664      3.094994      1.102189
  C      -3.076933      0.318708      3.277978
  C      -3.200292     -1.080089      3.464503
  C      -3.564673     -1.531198      4.744840
  O      -3.881336     -2.756812      5.023456
  C      -6.554499     -4.301214      2.888777
  C      -6.835902     -3.244923      3.796775
  C      -8.035622     -2.546211      3.812855
  C      -8.128553     -1.533986      4.892346
  O      -9.071388     -0.799495      5.141769
  C      -9.057422     -2.854020      2.859377
  C     -10.379883     -2.202640      2.798424
  O     -11.252394     -2.534055      1.997091
  C      -8.746534     -3.810756      1.895517
  C      -7.527607     -4.502814      1.836099
  C      -7.270234     -5.162038      0.555851
  O      -6.194054     -5.591562      0.139197
  C      -2.077654     -5.146526      6.503967
  C      -0.835161     -5.349125      7.159800
  C      -0.643662     -5.040100      8.498489
  C       0.715492     -5.307731      9.066157
  O       1.711011     -5.406396      8.365135
  C      -1.727962     -4.558451      9.290638
  C      -1.603519     -4.107145     10.681471
  O      -0.555630     -3.924017     11.289583
  C      -2.981926     -4.468809      8.689564
  C      -3.188410     -4.748238      7.329515
  C      -4.541492     -4.817609      6.856327
  O      -4.903389     -5.066132      5.679361
  H      -2.833711     -1.907214      0.146900
  H      -2.733598      1.657679     -0.622833
  H      -2.890564      2.820618      3.061612
  H      -3.173877      0.960809      4.158410
  H      -3.654106     -0.813294      5.569144
  H      -6.101802     -3.020940      4.569616
  H      -7.195418     -1.482378      5.511137
  H     -10.553389     -1.382855      3.523471
  H      -9.485960     -3.987927      1.108954
  H      -8.169942     -5.184295     -0.105722
  H       0.036469     -5.693854      6.603373
  H       0.763146     -5.447933     10.164451
  H      -2.587969     -3.912465     11.176697
  H      -3.841452     -4.166803      9.295693
  H      -5.340734     -4.633938      7.614959
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839226200468
  N      -2.971235     -3.324464      2.458159
  C      -2.680634     -4.098155      1.237332
  C      -2.084836     -5.428691      1.635904
  N      -2.952655     -6.094768      2.646198
  C      -4.111580     -6.771520      1.977968
  C      -5.378641     -6.460589      2.748337
  N      -5.414965     -5.027096      3.043476
  Mo     -3.679792     -4.426914      3.986739
  N      -2.219534     -5.314607      5.160320
  C      -1.313104     -6.239215      4.469730
  C      -2.156173     -7.031340      3.481507
  H      -0.847943     -6.943485      5.174828
  H      -0.498154     -5.694939      3.964705
  H      -2.866134     -7.660851      4.036277
  H      -1.531284     -7.682249      2.846082
  H      -6.257985     -6.792327      2.185142
  H      -5.386586     -6.999406      3.714597
  H      -4.219442     -6.363448      0.967919
  H      -3.921705     -7.853092      1.906083
  H      -1.948157     -3.577656      0.603997
  H      -3.605831     -4.228308      0.648712
  H      -1.099918     -5.254161      2.087442
  H      -1.952288     -6.086246      0.761590
  C      -3.010823     -1.949394      2.321369
  C      -2.868026     -1.321567      1.064853
  C      -2.790394      0.056596      0.893251
  C      -2.685003      0.559660     -0.498461
  O      -2.565126     -0.185215     -1.468334
  C      -2.856989      0.909284      2.043634
  C      -2.709485      2.375523      2.049590
  O      -2.420116      3.095235      1.103618
  C      -3.071693      0.319370      3.278637
  C      -3.196893     -1.079324      3.464715
  C      -3.562027     -1.530465      4.744754
  O      -3.880752     -2.755809      5.022354
  C      -6.556219     -4.301974      2.888200
  C      -6.836809     -3.244138      3.794739
  C      -8.037534     -2.547189      3.812437
  C      -8.129163     -1.532771      4.889993
  O      -9.072461     -0.799194      5.140335
  C      -9.061200     -2.858255      2.862075
  C     -10.385068     -2.209557      2.803605
  O     -11.259036     -2.543933      2.005077
  C      -8.751010     -3.815884      1.898838
  C      -7.531230     -4.506265      1.837793
  C      -7.275541     -5.166893      0.557906
  O      -6.199701     -5.595625      0.139640
  C      -2.078318     -5.144927      6.503098
  C      -0.835956     -5.347373      7.159119
  C      -0.644906     -5.039151      8.498132
  C       0.714214     -5.306411      9.065928
  O       1.709604     -5.406325      8.364850
  C      -1.729709     -4.558520      9.290152
  C      -1.606514     -4.108393     10.681609
  O      -0.559272     -3.924696     11.290593
  C      -2.983488     -4.468765      8.688709
  C      -3.189438     -4.747338      7.328357
  C      -4.542342     -4.816727      6.854621
  O      -4.903396     -5.065062      5.677241
  H      -2.832550     -1.905951      0.146823
  H      -2.728427      1.659223     -0.621808
  H      -2.881523      2.821151      3.062947
  H      -3.167599      0.961355      4.159278
  H      -3.650386     -0.813185      5.569700
  H      -6.101035     -3.017146      4.565139
  H      -7.194498     -1.478465      5.506252
  H     -10.558782     -1.389856      3.528717
  H      -9.491854     -3.995188      1.114089
  H      -8.176604     -5.191111     -0.101778
  H       0.035939     -5.691438      6.602698
  H       0.762156     -5.444734     10.164443
  H      -2.591507     -3.914389     11.176044
  H      -3.843247     -4.167453      9.294853
  H      -5.342408     -4.633717      7.612830
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839229127780
  N      -2.969707     -3.323960      2.457554
  C      -2.678549     -4.096925      1.236536
  C      -2.083875     -5.427957      1.634660
  N      -2.952171     -6.093128      2.645216
  C      -4.111119     -6.769927      1.976924
  C      -5.378099     -6.459992      2.747763
  N      -5.415670     -5.026354      3.041917
  Mo     -3.680384     -4.425962      3.985728
  N      -2.219603     -5.311846      5.159255
  C      -1.313201     -6.236916      4.469147
  C      -2.155993     -7.029596      3.481017
  H      -0.847624     -6.940633      5.174476
  H      -0.498458     -5.692757      3.963587
  H      -2.866149     -7.658782      4.035958
  H      -1.531120     -7.680878      2.846011
  H      -6.257009     -6.793213      2.184776
  H      -5.385518     -6.998291      3.714323
  H      -4.219823     -6.361086      0.967230
  H      -3.920704     -7.851338      1.904003
  H      -1.945483     -3.576119      0.604075
  H      -3.603224     -4.226280      0.646909
  H      -1.098581     -5.254673      2.085879
  H      -1.952363     -6.085709      0.760368
  C      -3.008555     -1.948767      2.321074
  C      -2.866429     -1.320848      1.064495
  C      -2.787204      0.057273      0.893032
  C      -2.683166      0.560671     -0.498601
  O      -2.566694     -0.184010     -1.469055
  C      -2.851060      0.909785      2.043730
  C      -2.701181      2.375757      2.049981
  O      -2.411465      3.095379      1.104041
  C      -3.065394      0.319893      3.278823
  C      -3.192640     -1.078625      3.464638
  C      -3.557889     -1.529695      4.744612
  O      -3.879490     -2.754544      5.021150
  C      -6.557930     -4.302739      2.887660
  C      -6.837800     -3.243741      3.793195
  C      -8.039464     -2.548470      3.812670
  C      -8.130025     -1.532452      4.888784
  O      -9.073980     -0.800168      5.140423
  C      -9.064810     -2.862249      2.865024
  C     -10.389981     -2.216006      2.808946
  O     -11.265141     -2.552751      2.012713
  C      -8.755206     -3.820342      1.902067
  C      -7.534677     -4.509218      1.839302
  C      -7.280596     -5.171076      0.559735
  O      -6.205210     -5.599345      0.139942
  C      -2.079129     -5.143032      6.502403
  C      -0.836963     -5.345300      7.158794
  C      -0.646462     -5.038333      8.498224
  C       0.712711     -5.305157      9.066007
  O       1.707779     -5.406874      8.364662
  C      -1.731931     -4.559079      9.290202
  C      -1.610647     -4.110993     10.682660
  O      -0.564462     -3.926734     11.293188
  C      -2.985400     -4.469070      8.688178
  C      -3.190671     -4.746385      7.327411
  C      -4.543355     -4.815623      6.853008
  O      -4.903264     -5.063439      5.675041
  H      -2.832962     -1.905222      0.146366
  H      -2.724494      1.660380     -0.621424
  H      -2.871174      2.821299      3.063740
  H      -3.159504      0.961821      4.159706
  H      -3.643999     -0.813136      5.570410
  H      -6.100456     -3.014071      4.561333
  H      -7.193781     -1.475436      5.502414
  H     -10.563911     -1.396547      3.534283
  H      -9.497302     -4.001357      1.118887
  H      -8.182878     -5.196579     -0.098286
  H       0.035260     -5.688434      6.602310
  H       0.761205     -5.440760     10.164813
  H      -2.596512     -3.917213     11.175482
  H      -3.845466     -4.168670      9.294339
  H      -5.344538     -4.633354      7.610451
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839231294903
  N      -2.969312     -3.323950      2.456968
  C      -2.678054     -4.096645      1.235907
  C      -2.083594     -5.427759      1.633786
  N      -2.951779     -6.092446      2.644809
  C      -4.110753     -6.769591      1.976822
  C      -5.377850     -6.459911      2.747625
  N      -5.415894     -5.026271      3.041372
  Mo     -3.680651     -4.425646      3.985215
  N      -2.219517     -5.310291      5.159032
  C      -1.312874     -6.235034      4.468792
  C      -2.155339     -7.028495      3.480923
  H      -0.846161     -6.938115      5.173965
  H      -0.499011     -5.690225      3.962478
  H      -2.865268     -7.657731      4.036124
  H      -1.530230     -7.679771      2.846176
  H      -6.256249     -6.793752      2.184184
  H      -5.385603     -6.998102      3.714243
  H      -4.219799     -6.360898      0.967089
  H      -3.920167     -7.850983      1.904011
  H      -1.945016     -3.575665      0.603530
  H      -3.602624     -4.225912      0.646054
  H      -1.097954     -5.254969      2.084436
  H      -1.952842     -6.085663      0.759505
  C      -3.007850     -1.948715      2.320546
  C      -2.866589     -1.320857      1.063803
  C      -2.786671      0.057232      0.892289
  C      -2.683587      0.560795     -0.499336
  O      -2.569025     -0.183795     -1.470096
  C      -2.848694      0.909771      2.043083
  C      -2.698027      2.375653      2.049417
  O      -2.409254      3.095442      1.103305
  C      -3.062178      0.319945      3.278381
  C      -3.190381     -1.078445      3.464224
  C      -3.555123     -1.529421      4.744365
  O      -3.878431     -2.753885      5.020515
  C      -6.558562     -4.303173      2.887701
  C      -6.838254     -3.244160      3.793345
  C      -8.040135     -2.549306      3.813523
  C      -8.130578     -1.533416      4.889737
  O      -9.074902     -0.801866      5.142146
  C      -9.065853     -2.863396      2.866329
  C     -10.391230     -2.217477      2.810790
  O     -11.266589     -2.554386      2.014846
  C      -8.756385     -3.821300      1.903195
  C      -7.535740     -4.509922      1.839812
  C      -7.282134     -5.172004      0.560289
  O      -6.206982     -5.600436      0.140104
  C      -2.079525     -5.142104      6.502327
  C      -0.837498     -5.344159      7.159044
  C      -0.647333     -5.038000      8.498708
  C       0.711999     -5.304332      9.066368
  O       1.706726     -5.407470      8.364698
  C      -1.733227     -4.559681      9.290764
  C      -1.613310     -4.113161     10.683932
  O      -0.567943     -3.929162     11.295881
  C      -2.986481     -4.469586      8.688305
  C      -3.191341     -4.746116      7.327298
  C      -4.543847     -4.815193      6.852449
  O      -4.903010     -5.062424      5.674057
  H      -2.834419     -1.905357      0.145704
  H      -2.723803      1.660585     -0.621838
  H      -2.866285      2.820980      3.063571
  H      -3.154981      0.961868      4.159412
  H      -3.639411     -0.813142      5.570595
  H      -6.100470     -3.014005      4.560937
  H      -7.193804     -1.475620      5.502501
  H     -10.565152     -1.398220      3.536356
  H      -9.498757     -4.002476      1.120301
  H      -8.184700     -5.197396     -0.097391
  H       0.034988     -5.686608      6.602524
  H       0.761003     -5.437767     10.165401
  H      -2.599843     -3.919275     11.175420
  H      -3.846787     -4.169802      9.294434
  H      -5.345808     -4.633337      7.609178
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839235401473
  N      -2.969649     -3.324185      2.455826
  C      -2.678651     -4.096825      1.234798
  C      -2.083666     -5.427682      1.632493
  N      -2.951113     -6.091862      2.644527
  C      -4.110093     -6.769968      1.977433
  C      -5.377589     -6.460194      2.747721
  N      -5.415903     -5.026645      3.041217
  Mo     -3.680893     -4.425517      3.984712
  N      -2.219173     -5.308255      5.159334
  C      -1.311825     -6.231690      4.468315
  C      -2.153712     -7.026793      3.481165
  H      -0.842528     -6.933568      5.172914
  H      -0.500087     -5.685088      3.960499
  H      -2.862892     -7.656394      4.036925
  H      -1.527949     -7.677773      2.846784
  H      -6.255039     -6.794424      2.182965
  H      -5.386537     -6.998519      3.714243
  H      -4.219319     -6.362298      0.967309
  H      -3.919419     -7.851425      1.905767
  H      -1.946242     -3.575621      0.601867
  H      -3.603408     -4.226648      0.645284
  H      -1.097462     -5.255024      2.081924
  H      -1.953987     -6.085887      0.758279
  C      -3.007858     -1.948945      2.319241
  C      -2.868182     -1.321345      1.062132
  C      -2.787614      0.056678      0.890377
  C      -2.685791      0.560318     -0.501320
  O      -2.573392     -0.184269     -1.472340
  C      -2.847086      0.909461      2.041133
  C      -2.696124      2.375318      2.047411
  O      -2.409979      3.095534      1.100811
  C      -3.058792      0.319832      3.276884
  C      -3.187942     -1.078366      3.463009
  C      -3.551337     -1.529143      4.743628
  O      -3.876669     -2.753003      5.019660
  C      -6.558896     -4.303748      2.888348
  C      -6.838731     -3.245667      3.795083
  C      -8.040430     -2.550556      3.815653
  C      -8.131378     -1.536248      4.893271
  O      -9.076113     -0.805551      5.146652
  C      -9.065790     -2.863305      2.867494
  C     -10.390625     -2.216195      2.811448
  O     -11.265593     -2.551616      2.014460
  C      -8.756252     -3.820433      1.903734
  C      -7.535880     -4.509575      1.840122
  C      -7.282334     -5.171303      0.560451
  O      -6.207443     -5.600545      0.140425
  C      -2.079852     -5.141061      6.502721
  C      -0.838050     -5.342758      7.159941
  C      -0.648347     -5.037885      8.499947
  C       0.711346     -5.303363      9.067259
  O       1.705362     -5.409182      8.364896
  C      -1.734840     -4.561053      9.292287
  C      -1.617173     -4.117118     10.686579
  O      -0.573258     -3.934225     11.301260
  C      -2.987780     -4.470875      8.689126
  C      -3.192095     -4.746145      7.327786
  C      -4.544252     -4.814923      6.852203
  O      -4.902311     -5.060972      5.673092
  H      -2.837760     -1.906161      0.144179
  H      -2.724737      1.660195     -0.623477
  H      -2.861546      2.820214      3.062229
  H      -3.149642      0.961800      4.158093
  H      -3.632802     -0.812962      5.570248
  H      -6.101057     -3.016454      4.563081
  H      -7.194534     -1.478691      5.505968
  H     -10.564282     -1.397215      3.537383
  H      -9.498375     -4.000713      1.120374
  H      -8.184682     -5.195430     -0.097617
  H       0.034896     -5.684070      6.603389
  H       0.761332     -5.432893     10.166678
  H      -2.604862     -3.923094     11.175785
  H      -3.848510     -4.172102      9.295168
  H      -5.347540     -4.633813      7.607652
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839239840690
  N      -2.971016     -3.324502      2.454647
  C      -2.680808     -4.097467      1.233677
  C      -2.084422     -5.427695      1.631421
  N      -2.950614     -6.091750      2.644581
  C      -4.109537     -6.771166      1.978696
  C      -5.377505     -6.460874      2.748224
  N      -5.415575     -5.027427      3.041747
  Mo     -3.680988     -4.425741      3.984614
  N      -2.218615     -5.306809      5.160147
  C      -1.310405     -6.228437      4.467890
  C      -2.151842     -7.025250      3.481690
  H      -0.838387     -6.929250      5.171699
  H      -0.501003     -5.679732      3.958660
  H      -2.860029     -7.655388      4.038084
  H      -1.525316     -7.675752      2.847559
  H      -6.254189     -6.794878      2.182081
  H      -5.387781     -6.999469      3.714565
  H      -4.218655     -6.365123      0.967924
  H      -3.918848     -7.852748      1.908900
  H      -1.949584     -3.576101      0.599542
  H      -3.606157     -4.228484      0.645299
  H      -1.097773     -5.254356      2.079560
  H      -1.955422     -6.086243      0.757357
  C      -3.008958     -1.949317      2.317702
  C      -2.870783     -1.322027      1.060233
  C      -2.789877      0.055925      0.888211
  C      -2.688885      0.559464     -0.503643
  O      -2.577841     -0.185268     -1.474700
  C      -2.847408      0.909035      2.038809
  C      -2.696821      2.374965      2.044882
  O      -2.413827      3.095614      1.097657
  C      -3.057358      0.319628      3.275016
  C      -3.186929     -1.078423      3.461503
  C      -3.548745     -1.529017      4.742687
  O      -3.875050     -2.752399      5.019080
  C      -6.558586     -4.304179      2.889433
  C      -6.838905     -3.247625      3.797748
  C      -8.040007     -2.551501      3.817931
  C      -8.131986     -1.539671      4.897770
  O      -9.076974     -0.809529      5.151860
  C      -9.064229     -2.861630      2.867563
  C     -10.387839     -2.212036      2.809826
  O     -11.261946     -2.544962      2.010872
  C      -8.754396     -3.817813      1.903072
  C      -7.534643     -4.508190      1.840021
  C      -7.280542     -5.169081      0.560060
  O      -6.205723     -5.599410      0.140874
  C      -2.079751     -5.140534      6.503518
  C      -0.838169     -5.341989      7.161108
  C      -0.648818     -5.038201      8.501406
  C       0.711253     -5.302844      9.068364
  O       1.704447     -5.412083      8.365275
  C      -1.735749     -4.562624      9.294100
  C      -1.620137     -4.120935     10.689339
  O      -0.577650     -3.939679     11.306873
  C      -2.988447     -4.472387      8.690340
  C      -3.192387     -4.746557      7.328760
  C      -4.544151     -4.815160      6.852456
  O      -4.901306     -5.059983      5.672653
  H      -2.841703     -1.907116      0.142423
  H      -2.726920      1.659392     -0.625647
  H      -2.859624      2.819459      3.060301
  H      -3.146612      0.961648      4.156355
  H      -3.627966     -0.812594      5.569346
  H      -6.102032     -3.020655      4.567182
  H      -7.195716     -1.483509      5.511482
  H     -10.561002     -1.393083      3.535905
  H      -9.495722     -3.996414      1.118552
  H      -8.182123     -5.191378     -0.099127
  H       0.035249     -5.682247      6.604612
  H       0.762290     -5.427842     10.168222
  H      -2.608909     -3.926906     11.176451
  H      -3.849587     -4.174537      9.296264
  H      -5.348754     -4.635060      7.606753
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839245865295
  N      -2.973757     -3.324749      2.453408
  C      -2.685007     -4.098528      1.232549
  C      -2.086121     -5.427629      1.630635
  N      -2.950317     -6.092059      2.645147
  C      -4.109102     -6.773339      1.980935
  C      -5.377576     -6.461991      2.749471
  N      -5.414836     -5.028593      3.043083
  Mo     -3.680958     -4.426243      3.985115
  N      -2.217668     -5.305714      5.161531
  C      -1.308390     -6.224966      4.467523
  C      -2.149523     -7.023669      3.482615
  H      -0.833489     -6.924851      5.170310
  H      -0.501516     -5.673861      3.956974
  H      -2.856370     -7.654568      4.039792
  H      -1.522138     -7.673474      2.848559
  H      -6.253822     -6.795149      2.182106
  H      -5.389147     -7.000809      3.715647
  H      -4.217894     -6.369752      0.969186
  H      -3.918340     -7.855085      1.913937
  H      -1.955640     -3.577045      0.596449
  H      -3.611403     -4.231512      0.646235
  H      -1.099175     -5.252560      2.077388
  H      -1.957309     -6.086616      0.756859
  C      -3.011460     -1.949711      2.315795
  C      -2.874717     -1.322811      1.057951
  C      -2.793681      0.055068      0.885607
  C      -2.693103      0.558240     -0.506527
  O      -2.582753     -0.186845     -1.477367
  C      -2.849807      0.908613      2.035919
  C      -2.700065      2.374689      2.041555
  O      -2.420565      3.095658      1.093540
  C      -3.058077      0.319509      3.272595
  C      -3.187596     -1.078436      3.459538
  C      -3.547518     -1.528823      4.741412
  O      -3.873570     -2.751882      5.018741
  C      -6.557554     -4.304443      2.890989
  C      -6.838640     -3.249851      3.801179
  C      -8.038706     -2.551901      3.820081
  C      -8.132218     -1.543258      4.902775
  O      -9.077357     -0.813438      5.157293
  C      -9.060994     -2.858203      2.866334
  C     -10.382649     -2.204780      2.805656
  O     -11.255531     -2.534438      2.004041
  C      -8.750694     -3.813431      1.901109
  C      -7.531938     -4.505816      1.839554
  C      -7.276681     -5.165548      0.559229
  O      -6.201756     -5.597292      0.141611
  C      -2.079027     -5.140418      6.504825
  C      -0.837633     -5.341746      7.162559
  C      -0.648572     -5.039175      8.503206
  C       0.711896     -5.302996      9.069739
  O       1.704059     -5.416859      8.365828
  C      -1.735856     -4.564986      9.296412
  C      -1.622421     -4.125537     10.692594
  O      -0.581531     -3.946208     11.313337
  C      -2.988391     -4.474660      8.692164
  C      -3.192081     -4.747511      7.330341
  C      -4.543356     -4.816128      6.853256
  O      -4.899710     -5.059488      5.672680
  H      -2.846659     -1.908114      0.140260
  H      -2.730502      1.658178     -0.628648
  H      -2.860423      2.818919      3.057471
  H      -3.146050      0.961634      4.153991
  H      -3.625142     -0.811797      5.567743
  H      -6.103250     -3.026312      4.573018
  H      -7.197138     -1.489468      5.518496
  H     -10.555014     -1.385431      3.531480
  H      -9.490636     -3.989573      1.114724
  H      -8.176920     -5.185477     -0.101810
  H       0.036327     -5.680840      6.606177
  H       0.764209     -5.422268     10.170127
  H      -2.612346     -3.932127     11.177709
  H      -3.849974     -4.177925      9.298022
  H      -5.349455     -4.637696      7.606530
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839253266185
  N      -2.977372     -3.324756      2.452553
  C      -2.690496     -4.099713      1.231844
  C      -2.088549     -5.427392      1.630533
  N      -2.950440     -6.092732      2.646254
  C      -4.109006     -6.775998      1.983708
  C      -5.377852     -6.463159      2.751251
  N      -5.413837     -5.029704      3.044927
  Mo     -3.680875     -4.426877      3.986293
  N      -2.216418     -5.305120      5.163074
  C      -1.306281     -6.222271      4.467355
  C      -2.147417     -7.022480      3.483750
  H      -0.829348     -6.921748      5.169206
  H      -0.501185     -5.669383      3.956054
  H      -2.852917     -7.654128      4.041723
  H      -1.519432     -7.671615      2.849517
  H      -6.254310     -6.794962      2.183407
  H      -5.390218     -7.001955      3.717406
  H      -4.217325     -6.375179      0.970858
  H      -3.918055     -7.857883      1.919808
  H      -1.963234     -3.578211      0.593446
  H      -3.618175     -4.234944      0.648087
  H      -1.101632     -5.249764      2.076318
  H      -1.959150     -6.086820      0.757160
  C      -3.014913     -1.949960      2.314100
  C      -2.879235     -1.323409      1.055972
  C      -2.798235      0.054420      0.883344
  C      -2.697787      0.557005     -0.509158
  O      -2.587723     -0.188597     -1.479597
  C      -2.853714      0.908361      2.033353
  C      -2.704788      2.374580      2.038368
  O      -2.427938      3.095539      1.089582
  C      -3.060866      0.319577      3.270379
  C      -3.189924     -1.078329      3.457720
  C      -3.548052     -1.528538      4.740246
  O      -3.872508     -2.751567      5.018893
  C      -6.555938     -4.304269      2.892456
  C      -6.837883     -3.251391      3.804128
  C      -8.036812     -2.551374      3.821110
  C      -8.131985     -1.545596      4.906353
  O      -9.077284     -0.816009      5.161017
  C      -9.056869     -2.853887      2.863831
  C     -10.376471     -2.196588      2.799744
  O     -11.248179     -2.523588      1.995791
  C      -8.745996     -3.808481      1.898126
  C      -7.528303     -4.502999      1.838712
  C      -7.271472     -5.161662      0.558128
  O      -6.196228     -5.594693      0.142486
  C      -2.077658     -5.140719      6.506309
  C      -0.836359     -5.342173      7.163857
  C      -0.647443     -5.040685      8.504859
  C       0.713288     -5.303924      9.071039
  O       1.704368     -5.423322      8.366420
  C      -1.734905     -4.567700      9.298586
  C      -1.623307     -4.129973     10.695535
  O      -0.583814     -3.952248     11.319041
  C      -2.987413     -4.477214      8.694151
  C      -3.191041     -4.748767      7.332115
  C      -4.541842     -4.817751      6.854393
  O      -4.897655     -5.059800      5.673125
  H      -2.851802     -1.908749      0.138293
  H      -2.734753      1.656907     -0.631682
  H      -2.863496      2.818884      3.054503
  H      -3.148165      0.961851      4.151730
  H      -3.625225     -0.810745      5.565990
  H      -6.104289     -3.031329      4.578645
  H      -7.198280     -1.494174      5.524333
  H     -10.548009     -1.376338      3.524752
  H      -9.484313     -3.982129      1.109673
  H      -8.170130     -5.179492     -0.105027
  H       0.038078     -5.680308      6.607639
  H       0.766909     -5.416823     10.171997
  H      -2.614187     -3.937789     11.179267
  H      -3.849329     -4.181572      9.300067
  H      -5.349326     -4.641575      7.607072
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839263554641
  N      -2.981705     -3.324523      2.452374
  C      -2.697025     -4.100986      1.231906
  C      -2.091704     -5.427016      1.631400
  N      -2.951089     -6.093844      2.648142
  C      -4.109386     -6.779092      1.987110
  C      -5.378414     -6.464192      2.753666
  N      -5.412640     -5.030543      3.047225
  Mo     -3.680767     -4.427607      3.988375
  N      -2.214733     -5.304932      5.164631
  C      -1.304143     -6.220640      4.467498
  C      -2.145621     -7.021913      3.485141
  H      -0.826212     -6.920219      5.168633
  H      -0.499809     -5.666935      3.955993
  H      -2.849764     -7.654275      4.043980
  H      -1.517469     -7.670450      2.850381
  H      -6.255832     -6.794213      2.186287
  H      -5.391071     -7.002556      3.720045
  H      -4.217078     -6.381337      0.973034
  H      -3.918143     -7.861084      1.926576
  H      -1.971943     -3.579568      0.591038
  H      -3.626101     -4.238496      0.650938
  H      -1.105176     -5.246134      2.076764
  H      -1.960905     -6.086841      0.758528
  C      -3.019308     -1.950089      2.312909
  C      -2.884440     -1.323882      1.054550
  C      -2.803729      0.053935      0.881592
  C      -2.703476      0.555715     -0.511354
  O      -2.593635     -0.190543     -1.481276
  C      -2.859247      0.908236      2.031297
  C      -2.710924      2.374553      2.035441
  O      -2.435366      3.095056      1.085951
  C      -3.065808      0.319834      3.268582
  C      -3.193932     -1.078098      3.456318
  C      -3.550327     -1.528126      4.739459
  O      -3.871921     -2.751453      5.019749
  C      -6.553703     -4.303423      2.893520
  C      -6.836440     -3.251630      3.805956
  C      -8.034228     -2.549483      3.820431
  C      -8.131087     -1.545818      4.907516
  O      -9.076710     -0.816589      5.162071
  C      -9.051947     -2.848679      2.859823
  C     -10.369628     -2.187916      2.792116
  O     -11.240406     -2.513434      1.986563
  C      -8.740406     -3.803036      1.893942
  C      -7.523778     -4.499658      1.837272
  C      -7.264879     -5.157457      0.556614
  O      -6.189085     -5.591530      0.143327
  C      -2.075500     -5.141403      6.507910
  C      -0.834139     -5.343087      7.164869
  C      -0.645201     -5.042687      8.506268
  C       0.715688     -5.305513      9.072076
  O       1.705607     -5.431214      8.366807
  C      -1.732743     -4.570967      9.300565
  C      -1.622732     -4.134564     10.698202
  O      -0.584435     -3.957487     11.323836
  C      -2.985398     -4.480371      8.696330
  C      -3.189115     -4.750525      7.334051
  C      -4.539513     -4.820332      6.855930
  O      -4.895007     -5.061166      5.674034
  H      -2.857286     -1.909143      0.136804
  H      -2.740294      1.655534     -0.634588
  H      -2.868976      2.819399      3.051438
  H      -3.153033      0.962376      4.149738
  H      -3.628172     -0.809560      5.564489
  H      -6.104809     -3.034540      4.583141
  H      -7.198708     -1.496156      5.527599
  H     -10.540450     -1.366246      3.515695
  H      -9.476919     -3.974328      1.103327
  H      -8.161763     -5.173547     -0.108877
  H       0.040679     -5.680367      6.608764
  H       0.770766     -5.411448     10.173615
  H      -2.614392     -3.944508     11.181212
  H      -3.847516     -4.185974      9.302549
  H      -5.348217     -4.647169      7.608478
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839278513858
  N      -2.986387     -3.324123      2.453085
  C      -2.704194     -4.102329      1.232968
  C      -2.095553     -5.426634      1.633325
  N      -2.952401     -6.095430      2.650903
  C      -4.110435     -6.782463      1.991075
  C      -5.379446     -6.464781      2.756581
  N      -5.411510     -5.030808      3.049707
  Mo     -3.680769     -4.428351      3.991353
  N      -2.212564     -5.304848      5.165841
  C      -1.302141     -6.220194      4.467900
  C      -2.144332     -7.022145      3.486742
  H      -0.824224     -6.920205      5.168695
  H      -0.497478     -5.666914      3.956512
  H      -2.847075     -7.655116      4.046662
  H      -1.516607     -7.670252      2.851080
  H      -6.258512     -6.792797      2.190616
  H      -5.392056     -7.002184      3.723499
  H      -4.217279     -6.388043      0.975649
  H      -3.918934     -7.864549      1.934164
  H      -1.981210     -3.581163      0.589553
  H      -3.634695     -4.241817      0.654781
  H      -1.109719     -5.242118      2.078816
  H      -1.962697     -6.086771      0.761002
  C      -3.024255     -1.950162      2.312601
  C      -2.890146     -1.324244      1.054059
  C      -2.809841      0.053594      0.880744
  C      -2.710347      0.554493     -0.512658
  O      -2.601239     -0.192460     -1.482103
  C      -2.865616      0.908142      2.030240
  C      -2.717234      2.374442      2.033381
  O      -2.441112      3.094039      1.083381
  C      -3.071962      0.320146      3.267713
  C      -3.198924     -1.077853      3.455807
  C      -3.553588     -1.527710      4.739517
  O      -3.871624     -2.751604      5.021566
  C      -6.551054     -4.301701      2.893740
  C      -6.834444     -3.250057      3.805981
  C      -8.031322     -2.546142      3.817627
  C      -8.129863     -1.543561      4.905585
  O      -9.076292     -0.815348      5.160105
  C      -9.046877     -2.843097      2.854323
  C     -10.363121     -2.179943      2.783124
  O     -11.233376     -2.505819      1.977132
  C      -8.734513     -3.797623      1.888612
  C      -7.518775     -4.495937      1.835037
  C      -7.257236     -5.153244      0.554618
  O      -6.180633     -5.587941      0.144026
  C      -2.072590     -5.142251      6.509346
  C      -0.830970     -5.344050      7.165351
  C      -0.641831     -5.044725      8.507174
  C       0.719192     -5.307014      9.072502
  O       1.707850     -5.439506      8.366577
  C      -1.729451     -4.574552      9.302094
  C      -1.620816     -4.139214     10.700419
  O      -0.583480     -3.961418     11.327359
  C      -2.982437     -4.484103      8.698480
  C      -3.186332     -4.752772      7.335895
  C      -4.536469     -4.824004      6.857734
  O      -4.891784     -5.063716      5.675261
  H      -2.863257     -1.909344      0.136174
  H      -2.747091      1.654202     -0.636780
  H      -2.875634      2.820292      3.048887
  H      -3.159424      0.963078      4.148549
  H      -3.632778     -0.808621      5.563955
  H      -6.104761     -3.034765      4.585482
  H      -7.198366     -1.494207      5.526975
  H     -10.533510     -1.356255      3.504511
  H      -9.469197     -3.967048      1.095948
  H      -8.152282     -5.168252     -0.113290
  H       0.044122     -5.680464      6.609208
  H       0.776005     -5.405400     10.174618
  H      -2.613096     -3.952158     11.183311
  H      -3.844614     -4.191244      9.305325
  H      -5.346110     -4.654772      7.610567
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839302395372
  N      -2.991381     -3.323853      2.455064
  C      -2.712029     -4.104015      1.235467
  C      -2.100296     -5.426594      1.636597
  N      -2.954570     -6.097857      2.654929
  C      -4.112419     -6.786405      1.995974
  C      -5.381318     -6.464855      2.760047
  N      -5.410739     -5.030473      3.052404
  Mo     -3.681016     -4.429331      3.995538
  N      -2.209644     -5.304656      5.166522
  C      -1.300198     -6.221019      4.468575
  C      -2.143564     -7.023532      3.488779
  H      -0.822973     -6.921405      5.169540
  H      -0.494326     -5.669537      3.957120
  H      -2.844651     -7.657024      4.050271
  H      -1.516991     -7.671386      2.851750
  H      -6.262525     -6.790679      2.196153
  H      -5.394077     -7.000758      3.727823
  H      -4.217907     -6.395908      0.978931
  H      -3.920958     -7.868635      1.943372
  H      -1.991061     -3.583322      0.589354
  H      -3.643971     -4.245011      0.659954
  H      -1.115365     -5.238272      2.082614
  H      -1.964918     -6.086903      0.764811
  C      -3.029874     -1.950487      2.313619
  C      -2.896775     -1.324875      1.054864
  C      -2.817128      0.053010      0.881061
  C      -2.719477      0.553047     -0.512769
  O      -2.611829     -0.194551     -1.481883
  C      -2.873106      0.907721      2.030445
  C      -2.723914      2.373858      2.032443
  O      -2.445103      3.092076      1.082177
  C      -3.079297      0.320195      3.268121
  C      -3.204807     -1.077895      3.456654
  C      -3.557549     -1.527575      4.740923
  O      -3.871669     -2.752272      5.024760
  C      -6.548023     -4.298879      2.892783
  C      -6.831884     -3.246382      3.803884
  C      -8.028026     -2.540997      3.812305
  C      -8.128456     -1.538664      4.900311
  O      -9.076431     -0.812536      5.155052
  C      -9.041509     -2.836586      2.846720
  C     -10.356697     -2.171920      2.771925
  O     -11.226729     -2.499834      1.966469
  C      -8.728061     -3.791520      1.881431
  C      -7.513141     -4.491278      1.831418
  C      -7.248019     -5.148311      0.551585
  O      -6.170326     -5.583443      0.144359
  C      -2.068698     -5.143115      6.510499
  C      -0.826503     -5.344382      7.165117
  C      -0.636909     -5.046195      8.507392
  C       0.724475     -5.307200      9.071826
  O       1.711591     -5.446856      8.364958
  C      -1.724765     -4.578435      9.303157
  C      -1.617514     -4.144244     10.702335
  O      -0.581028     -3.963870     11.329796
  C      -2.978350     -4.488908      8.700683
  C      -3.182498     -4.755941      7.337696
  C      -4.532574     -4.829565      6.860027
  O      -4.887742     -5.068022      5.676932
  H      -2.870305     -1.909898      0.136873
  H      -2.756520      1.652619     -0.637889
  H      -2.883799      2.821209      3.047067
  H      -3.167126      0.963706      4.148481
  H      -3.638376     -0.808399      5.565085
  H      -6.104238     -3.031690      4.585476
  H      -7.197306     -1.487883      5.522077
  H     -10.526988     -1.345614      3.490331
  H      -9.460720     -3.959339      1.086610
  H      -8.140922     -5.162386     -0.119191
  H       0.048777     -5.679521      6.608554
  H       0.783703     -5.397031     10.174505
  H      -2.610393     -3.961318     11.185528
  H      -3.840475     -4.198329      9.308638
  H      -5.342789     -4.665770      7.613489
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839341215212
  N      -2.996587     -3.324237      2.458685
  C      -2.720595     -4.106437      1.239747
  C      -2.106271     -5.427487      1.641242
  N      -2.957897     -6.101550      2.660497
  C      -4.115767     -6.791296      2.002226
  C      -5.384649     -6.464431      2.764058
  N      -5.410977     -5.029642      3.055260
  Mo     -3.681790     -4.430875      4.001062
  N      -2.205763     -5.303969      5.166284
  C      -1.298256     -6.222934      4.469294
  C      -2.143413     -7.026385      3.491469
  H      -0.821712     -6.922979      5.171098
  H      -0.490869     -5.674572      3.956737
  H      -2.842290     -7.660287      4.055417
  H      -1.518802     -7.674188      2.852582
  H      -6.268033     -6.788076      2.202241
  H      -5.398518     -6.998372      3.732961
  H      -4.219063     -6.405736      0.983121
  H      -3.925074     -7.873823      1.955209
  H      -2.001600     -3.586523      0.590655
  H      -3.654039     -4.248254      0.666779
  H      -1.122170     -5.235657      2.087716
  H      -1.968500     -6.087775      0.769855
  C      -3.036057     -1.951525      2.316614
  C      -2.904538     -1.326184      1.057596
  C      -2.825709      0.051748      0.883232
  C      -2.731451      0.551247     -0.510872
  O      -2.625971     -0.196724     -1.479981
  C      -2.881275      0.906457      2.032691
  C      -2.730232      2.372243      2.033640
  O      -2.446388      3.088714      1.083508
  C      -3.087026      0.319382      3.270628
  C      -3.211026     -1.078798      3.459668
  C      -3.561560     -1.528353      4.744484
  O      -3.872206     -2.753969      5.029879
  C      -6.545002     -4.294904      2.890267
  C      -6.829162     -3.240524      3.799341
  C      -8.024654     -2.533883      3.804069
  C      -8.127485     -1.531356      4.891623
  O      -9.077992     -0.808809      5.147073
  C      -9.036047     -2.828700      2.836283
  C     -10.350284     -2.162899      2.757303
  O     -11.220163     -2.494090      1.952940
  C      -8.721151     -3.784190      1.871692
  C      -7.507131     -4.485398      1.825827
  C      -7.237165     -5.142423      0.547077
  O      -6.158131     -5.578269      0.144338
  C      -2.063687     -5.143599      6.511005
  C      -0.820409     -5.342743      7.163725
  C      -0.630005     -5.045726      8.506425
  C       0.732405     -5.303514      9.069097
  O       1.717557     -5.449784      8.360624
  C      -1.718491     -4.582151      9.303523
  C      -1.612798     -4.149609     10.703870
  O      -0.577180     -3.964387     11.331102
  C      -2.973061     -4.495224      8.702818
  C      -3.177553     -4.760506      7.339336
  C      -4.527851     -4.838136      6.862966
  O      -4.882837     -5.074875      5.679112
  H      -2.878990     -1.911346      0.139617
  H      -2.769458      1.650677     -0.636839
  H      -2.892681      2.821437      3.047058
  H      -3.174941      0.963609      4.150439
  H      -3.643596     -0.809745      5.568945
  H      -6.103781     -3.025329      4.582962
  H      -7.196087     -1.477215      5.512729
  H     -10.520751     -1.333280      3.471816
  H      -9.451408     -3.950493      1.074390
  H      -8.127382     -5.155304     -0.127377
  H       0.055043     -5.675494      6.606023
  H       0.795180     -5.383723     10.172275
  H      -2.606403     -3.972182     11.187569
  H      -3.835113     -4.208326      9.312545
  H      -5.338003     -4.682242      7.617426
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839404968629
  N      -3.001849     -3.326137      2.464337
  C      -2.729677     -4.110084      1.246055
  C      -2.113719     -5.430182      1.647037
  N      -2.962636     -6.107031      2.667652
  C      -4.120901     -6.797620      2.010156
  C      -5.390205     -6.463950      2.768429
  N      -5.413282     -5.028938      3.058204
  Mo     -3.683502     -4.433672      4.007897
  N      -2.200870     -5.302491      5.164702
  C      -1.296256     -6.225627      4.469675
  C      -2.144022     -7.031018      3.495054
  H      -0.819410     -6.923731      5.173156
  H      -0.488028     -5.681348      3.953880
  H      -2.839872     -7.665160      4.062696
  H      -1.522114     -7.678987      2.853907
  H      -6.274908     -6.785794      2.207453
  H      -5.407151     -6.995822      3.738502
  H      -4.220831     -6.418341      0.988417
  H      -3.932221     -7.880700      1.970515
  H      -2.012528     -3.591274      0.593789
  H      -3.664644     -4.251783      0.675342
  H      -1.129891     -5.235994      2.093140
  H      -1.974693     -6.090152      0.775662
  C      -3.042581     -1.953991      2.322371
  C      -2.913082     -1.328793      1.063086
  C      -2.835158      0.049149      0.888259
  C      -2.745665      0.548869     -0.505762
  O      -2.641927     -0.198860     -1.475334
  C      -2.889643      0.903596      2.038036
  C      -2.735675      2.368849      2.038418
  O      -2.444329      3.083421      1.089053
  C      -3.094647      0.316790      3.276251
  C      -3.217298     -1.081471      3.465777
  C      -3.565698     -1.531072      4.750997
  O      -3.874151     -2.757581      5.037313
  C      -6.542802     -4.290197      2.885959
  C      -6.826966     -3.233076      3.792401
  C      -8.021485     -2.524814      3.792843
  C      -8.127346     -1.522254      4.879985
  O      -9.081184     -0.804541      5.136528
  C      -9.030600     -2.818605      2.822336
  C     -10.343251     -2.150651      2.737903
  O     -11.212670     -2.484797      1.934159
  C      -8.714058     -3.774783      1.858792
  C      -7.501437     -4.478215      1.817781
  C      -7.225505     -5.135632      0.540731
  O      -6.145157     -5.573468      0.143927
  C      -2.057519     -5.143064      6.510358
  C      -0.812345     -5.336989      7.160488
  C      -0.620639     -5.041027      8.503486
  C       0.744121     -5.291900      9.062886
  O       1.726802     -5.442287      8.351621
  C      -1.710461     -4.584726      9.302830
  C      -1.606649     -4.154836     10.704776
  O      -0.572106     -3.962272     11.331206
  C      -2.966569     -4.503485      8.704672
  C      -3.171609     -4.767068      7.340676
  C      -4.522472     -4.851421      6.866789
  O      -4.877262     -5.085521      5.681954
  H      -2.888876     -1.914460      0.145362
  H      -2.786301      1.648162     -0.632072
  H      -2.902009      2.819911      3.050382
  H      -3.182258      0.961712      4.155567
  H      -3.648090     -0.813777      5.576458
  H      -6.104188     -3.016991      4.578302
  H      -7.195361     -1.463530      5.499826
  H     -10.513771     -1.317164      3.447843
  H      -9.441345     -3.939231      1.058400
  H      -8.112232     -5.146135     -0.138551
  H       0.063366     -5.665151      6.600430
  H       0.812024     -5.361974     10.166387
  H      -2.601281     -3.984640     11.188941
  H      -3.828694     -4.222635      9.317021
  H      -5.331473     -4.707446      7.622793
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839503192846
  N      -3.007133     -3.330658      2.471867
  C      -2.739008     -4.115393      1.253825
  C      -2.122771     -5.435606      1.652863
  N      -2.968836     -6.114441      2.675735
  C      -4.128023     -6.805747      2.019777
  C      -5.398631     -6.464444      2.772877
  N      -5.418931     -5.029637      3.061216
  Mo     -3.686676     -4.438548      4.015382
  N      -2.195433     -5.300022      5.161552
  C      -1.294176     -6.228092      4.469035
  C      -2.145476     -7.037107      3.499600
  H      -0.814760     -6.921832      5.174917
  H      -0.487271     -5.687745      3.946865
  H      -2.837390     -7.671198      4.072306
  H      -1.526577     -7.685466      2.856170
  H      -6.282503     -6.785397      2.209737
  H      -5.421481     -6.994811      3.743730
  H      -4.223532     -6.434137      0.994869
  H      -3.942891     -7.889683      1.989416
  H      -2.023475     -3.597849      0.598509
  H      -3.675485     -4.255985      0.685020
  H      -1.137931     -5.241308      2.096549
  H      -1.985210     -6.094944      0.780831
  C      -3.049044     -1.958709      2.331289
  C      -2.921478     -1.333203      1.071931
  C      -2.844154      0.044678      0.897241
  C      -2.759709      0.545961     -0.496109
  O      -2.655293     -0.200466     -1.466712
  C      -2.896967      0.898364      2.047699
  C      -2.739127      2.362974      2.048661
  O      -2.438634      3.075987      1.100883
  C      -3.101209      0.311272      3.286001
  C      -3.223245     -1.087069      3.475607
  C      -3.570363     -1.537103      4.760895
  O      -3.878832     -2.764209      5.047009
  C      -6.542774     -4.286002      2.880292
  C      -6.826618     -3.225880      3.784153
  C      -8.019097     -2.514507      3.779422
  C      -8.128527     -1.512949      4.867028
  O      -9.085576     -0.799856      5.124278
  C      -9.025333     -2.805518      2.804633
  C     -10.334507     -2.132072      2.712404
  O     -11.202513     -2.466130      1.907007
  C      -8.707371     -3.762719      1.842719
  C      -7.497298     -4.470423      1.807495
  C      -7.215110     -5.129105      0.532879
  O      -6.134019     -5.571697      0.143574
  C      -2.050567     -5.140610      6.508032
  C      -0.802354     -5.324509      7.154652
  C      -0.608778     -5.029190      8.497659
  C       0.760333     -5.267393      9.051656
  O       1.740166     -5.416127      8.335942
  C      -1.700875     -4.584640      9.300665
  C      -1.599229     -4.158838     10.704608
  O      -0.566138     -3.957025     11.330068
  C      -2.959186     -4.513698      8.705923
  C      -3.165216     -4.775924      7.341563
  C      -4.516958     -4.871060      6.871663
  O      -4.871817     -5.101054      5.685661
  H      -2.898789     -1.919666      0.154701
  H      -2.805538      1.645145     -0.621714
  H      -2.910263      2.815242      3.059265
  H      -3.188032      0.956434      4.165214
  H      -3.651940     -0.821610      5.587897
  H      -6.106940     -3.010135      4.573151
  H      -7.196403     -1.450568      5.486367
  H     -10.504228     -1.294529      3.417684
  H      -9.430935     -3.924405      1.038343
  H      -8.097430     -5.135245     -0.152442
  H       0.073848     -5.644602      6.590559
  H       0.835021     -5.328495     10.155181
  H      -2.595291     -3.997801     11.189036
  H      -3.821761     -4.242198      9.321793
  H      -5.323026     -4.744975      7.630245
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839638337344
  N      -3.012705     -3.338732      2.480230
  C      -2.747969     -4.122553      1.261508
  C      -2.132788     -5.444180      1.657126
  N      -2.975885     -6.123235      2.683342
  C      -4.136440     -6.815549      2.030283
  C      -5.409686     -6.467518      2.776796
  N      -5.428366     -5.033637      3.064704
  Mo     -3.691525     -4.446296      4.022392
  N      -2.190684     -5.297339      5.157704
  C      -1.292184     -6.229387      4.467129
  C      -2.147720     -7.043679      3.505009
  H      -0.807396     -6.916544      5.175534
  H      -0.489836     -5.691184      3.935779
  H      -2.835343     -7.677238      4.083509
  H      -1.531285     -7.692655      2.859964
  H      -6.289384     -6.788409      2.206684
  H      -5.441506     -6.998158      3.747268
  H      -4.227246     -6.452115      1.002095
  H      -3.955887     -7.900511      2.010004
  H      -2.033557     -3.605918      0.604098
  H      -3.685726     -4.261528      0.694130
  H      -1.145209     -5.252658      2.095526
  H      -2.000514     -6.102721      0.783710
  C      -3.055496     -1.966366      2.342406
  C      -2.928660     -1.339861      1.083390
  C      -2.851600      0.037901      0.909855
  C      -2.770216      0.542119     -0.482284
  O      -2.660094     -0.201871     -1.454165
  C      -2.903395      0.890296      2.061239
  C      -2.741965      2.354392      2.064233
  O      -2.433074      3.066788      1.118629
  C      -3.107621      0.302082      3.299157
  C      -3.229823     -1.096374      3.488083
  C      -3.577530     -1.547312      4.772979
  O      -3.887717     -2.774515      5.057788
  C      -6.545847     -4.284137      2.875047
  C      -6.829432     -3.222572      3.778094
  C      -8.017586     -2.504653      3.766702
  C      -8.130867     -1.506507      4.856966
  O      -9.088968     -0.794294      5.112491
  C      -9.019168     -2.788201      2.784076
  C     -10.321346     -2.103044      2.680706
  O     -11.185807     -2.429756      1.868500
  C      -8.700471     -3.746559      1.824116
  C      -7.495002     -4.462340      1.796021
  C      -7.207522     -5.122868      0.524092
  O      -6.126929     -5.574270      0.143433
  C      -2.043636     -5.135839      6.504315
  C      -0.791158     -5.304307      7.146259
  C      -0.595138     -5.008745      8.488810
  C       0.780413     -5.227869      9.035162
  O       1.757220     -5.366768      8.313309
  C      -1.690187     -4.580511      9.297158
  C      -1.590642     -4.160048     10.703165
  O      -0.559398     -3.948987     11.328193
  C      -2.951298     -4.524878      8.706687
  C      -3.159176     -4.786536      7.342405
  C      -4.511865     -4.897285      6.877936
  O      -4.867665     -5.121520      5.690863
  H      -2.906571     -1.927117      0.166754
  H      -2.824475      1.641166     -0.606033
  H      -2.918055      2.806501      3.073995
  H      -3.193841      0.946565      4.178935
  H      -3.657971     -0.833139      5.601192
  H      -6.113934     -3.011735      4.572364
  H      -7.200938     -1.446164      5.479853
  H     -10.488805     -1.262670      3.383102
  H      -9.419108     -3.903162      1.014224
  H      -8.084368     -5.121452     -0.168445
  H       0.085757     -5.612545      6.576450
  H       0.863001     -5.283137     10.138366
  H      -2.588412     -4.009686     11.187716
  H      -3.814790     -4.266008      9.326721
  H      -5.312707     -4.796362      7.640761
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839794915090
  N      -3.019116     -3.349679      2.486940
  C      -2.755939     -4.130782      1.266416
  C      -2.142314     -5.454605      1.658198
  N      -2.982521     -6.131506      2.688470
  C      -4.144405     -6.825647      2.039641
  C      -5.421488     -6.474098      2.779475
  N      -5.440003     -5.041862      3.069090
  Mo     -3.697649     -4.456259      4.027298
  N      -2.188488     -5.295723      5.154946
  C      -1.290877     -6.228776      4.464407
  C      -2.150502     -7.048776      3.510512
  H      -0.799213     -6.909126      5.174463
  H      -0.495574     -5.689674      3.923739
  H      -2.834746     -7.681190      4.094068
  H      -1.535099     -7.698622      2.865256
  H      -6.294061     -6.794783      2.197978
  H      -5.463631     -7.007585      3.747910
  H      -4.231900     -6.468901      1.008886
  H      -3.967655     -7.911458      2.027599
  H      -2.041889     -3.614059      0.608804
  H      -3.694470     -4.268687      0.699941
  H      -1.150785     -5.267831      2.089146
  H      -2.018332     -6.112666      0.783201
  C      -3.062068     -1.976294      2.352502
  C      -2.933527     -1.348036      1.094408
  C      -2.856089      0.029630      0.923176
  C      -2.773146      0.537283     -0.467639
  O      -2.651919     -0.203768     -1.440334
  C      -2.908967      0.880401      2.075469
  C      -2.745523      2.344349      2.081575
  O      -2.431897      3.057418      1.138061
  C      -3.115030      0.290274      3.312283
  C      -3.238117     -1.108353      3.499523
  C      -3.588788     -1.560397      4.783692
  O      -3.900416     -2.787179      5.066974
  C      -6.551729     -4.286051      2.873030
  C      -6.836182     -3.227064      3.779125
  C      -8.017211     -2.498305      3.759572
  C      -8.134400     -1.507048      4.855672
  O      -9.089271     -0.788420      5.105162
  C      -9.011050     -2.767579      2.764209
  C     -10.302408     -2.064304      2.647029
  O     -11.160150     -2.374327      1.821372
  C      -8.692283     -3.726408      1.805533
  C      -7.493639     -4.454337      1.785783
  C      -7.202827     -5.116072      0.515715
  O      -6.124152     -5.579525      0.143548
  C      -2.038134     -5.129283      6.500429
  C      -0.780699     -5.279218      7.136686
  C      -0.582001     -4.982192      8.478315
  C       0.800882     -5.178582      9.015991
  O       1.774735     -5.301174      8.287371
  C      -1.679828     -4.572216      9.293070
  C      -1.581888     -4.157201     10.700688
  O      -0.552627     -3.939646     11.326523
  C      -2.943930     -4.534587      8.707373
  C      -3.154647     -4.796726      7.343801
  C      -4.507861     -4.926727      6.885260
  O      -4.865921     -5.144073      5.697638
  H      -2.910115     -1.935383      0.178023
  H      -2.837140      1.636118     -0.589013
  H      -2.925271      2.794697      3.091390
  H      -3.201739      0.932962      4.193349
  H      -3.669353     -0.845712      5.611527
  H      -6.126665     -3.028570      4.581971
  H      -7.210989     -1.458984      5.489238
  H     -10.466692     -1.224280      3.350587
  H      -9.404576     -3.874509      0.988351
  H      -8.073462     -5.104176     -0.184484
  H       0.096972     -5.573758      6.560567
  H       0.891151     -5.231733     10.118657
  H      -2.581238     -4.017788     11.185555
  H      -3.808631     -4.289681      9.331503
  H      -5.301611     -4.857076      7.654106
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.839945015086
  N      -3.025777     -3.360181      2.489139
  C      -2.761015     -4.137674      1.266336
  C      -2.148642     -5.463391      1.655835
  N      -2.987108     -6.136417      2.689278
  C      -4.149499     -6.832908      2.044226
  C      -5.430490     -6.482939      2.779714
  N      -5.450335     -5.052569      3.073497
  Mo     -3.703963     -4.465534      4.028466
  N      -2.190521     -5.296005      5.154437
  C      -1.291481     -6.226737      4.462053
  C      -2.153637     -7.050624      3.514340
  H      -0.794898     -6.903140      5.172498
  H      -0.502234     -5.684451      3.916190
  H      -2.836991     -7.681368      4.100382
  H      -1.537659     -7.701633      2.870496
  H      -6.295795     -6.802274      2.186478
  H      -5.480379     -7.021289      3.744923
  H      -4.236767     -6.478330      1.012706
  H      -3.973360     -7.918968      2.034724
  H      -2.046015     -3.619644      0.611200
  H      -3.699247     -4.275663      0.699551
  H      -1.153710     -5.281088      2.080415
  H      -2.032314     -6.121723      0.779958
  C      -3.067488     -1.985591      2.357340
  C      -2.933420     -1.355199      1.100749
  C      -2.854285      0.022495      0.932463
  C      -2.763218      0.532542     -0.457416
  O      -2.628461     -0.206348     -1.429728
  C      -2.911736      0.871782      2.085291
  C      -2.747998      2.335931      2.094582
  O      -2.433211      3.050522      1.152721
  C      -3.123141      0.279560      3.320177
  C      -3.247749     -1.119249      3.504888
  C      -3.603825     -1.571995      4.788093
  O      -3.914334     -2.798237      5.070780
  C      -6.558929     -4.291814      2.875944
  C      -6.845890     -3.240236      3.789389
  C      -8.018609     -2.498789      3.762444
  C      -8.138610     -1.516561      4.866372
  O      -9.085355     -0.784012      5.106370
  C      -9.002717     -2.749429      2.752203
  C     -10.282652     -2.027284      2.623221
  O     -11.131598     -2.315317      1.780851
  C      -8.684375     -3.707070      1.792767
  C      -7.493062     -4.447986      1.780267
  C      -7.201786     -5.108961      0.510070
  O      -6.125938     -5.583988      0.143460
  C      -2.035956     -5.122287      6.497615
  C      -0.774031     -5.255907      7.128200
  C      -0.573184     -4.956369      8.468737
  C       0.815650     -5.132905      8.999351
  O       1.787212     -5.239455      8.265449
  C      -1.672701     -4.561344      9.289147
  C      -1.575649     -4.149947     10.697471
  O      -0.547969     -3.930107     11.325157
  C      -2.939371     -4.539460      8.707904
  C      -3.153212     -4.803029      7.345516
  C      -4.506108     -4.952226      6.891651
  O      -4.867095     -5.162987      5.704179
  H      -2.906058     -1.941307      0.183824
  H      -2.833928      1.631171     -0.577186
  H      -2.930174      2.783751      3.105016
  H      -3.212588      0.919853      4.202734
  H      -3.687659     -0.854497      5.613329
  H      -6.143292     -3.059730      4.602461
  H      -7.225734     -1.490155      5.516197
  H     -10.444818     -1.192148      3.333121
  H      -9.390356     -3.844477      0.968217
  H      -8.067168     -5.086184     -0.196041
  H       0.104226     -5.539177      6.547203
  H       0.911491     -5.186229     10.101538
  H      -2.575924     -4.019798     11.183257
  H      -3.805189     -4.306204      9.335096
  H      -5.292912     -4.914967      7.667017
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.840066854717
  N      -3.030803     -3.366316      2.486064
  C      -2.761536     -4.140707      1.261562
  C      -2.150022     -5.467235      1.651425
  N      -2.989070     -6.136333      2.685559
  C      -4.150752     -6.834529      2.041478
  C      -5.434043     -6.490937      2.776989
  N      -5.456391     -5.061912      3.076075
  Mo     -3.709391     -4.470617      4.025449
  N      -2.196823     -5.297584      5.155326
  C      -1.295010     -6.224709      4.460908
  C      -2.157248     -7.049153      3.514736
  H      -0.798278     -6.901618      5.171051
  H      -0.507261     -5.679451      3.916224
  H      -2.842654     -7.678067      4.100039
  H      -1.539967     -7.701557      2.873229
  H      -6.295547     -6.808096      2.177107
  H      -5.485519     -7.034192      3.739208
  H      -4.241154     -6.475894      1.011562
  H      -3.971197     -7.920046      2.026833
  H      -2.044190     -3.620756      0.611046
  H      -3.698234     -4.279379      0.692779
  H      -1.153859     -5.287235      2.074048
  H      -2.037006     -6.126548      0.775823
  C      -3.069320     -1.990848      2.355453
  C      -2.926062     -1.358460      1.100770
  C      -2.843114      0.019403      0.935327
  C      -2.738494      0.530051     -0.453982
  O      -2.593150     -0.208289     -1.424940
  C      -2.907816      0.867609      2.088292
  C      -2.743767      2.331944      2.100116
  O      -2.427967      3.047945      1.159798
  C      -3.128441      0.273804      3.320622
  C      -3.255608     -1.125104      3.502416
  C      -3.618822     -1.577754      4.784352
  O      -3.925918     -2.803777      5.067585
  C      -6.565782     -4.299705      2.882503
  C      -6.855915     -3.257638      3.804897
  C      -8.022543     -2.506685      3.774473
  C      -8.142572     -1.531568      4.884711
  O      -9.078608     -0.782264      5.115288
  C      -8.998976     -2.741669      2.753361
  C     -10.272393     -2.008539      2.619995
  O     -11.114124     -2.278616      1.764671
  C      -8.681303     -3.696535      1.790961
  C      -7.494752     -4.445896      1.781501
  C      -7.205810     -5.104232      0.509176
  O      -6.132522     -5.585854      0.143032
  C      -2.038117     -5.116113      6.495904
  C      -0.773126     -5.240043      7.122260
  C      -0.571341     -4.937610      8.461917
  C       0.820413     -5.102937      8.989314
  O       1.791188     -5.199412      8.253246
  C      -1.671321     -4.550279      9.285447
  C      -1.574323     -4.139217     10.693470
  O      -0.547229     -3.919301     11.322363
  C      -2.939744     -4.538018      8.707555
  C      -3.155761     -4.803496      7.346336
  C      -4.507656     -4.967981      6.894770
  O      -4.870842     -5.173732      5.707862
  H      -2.893029     -1.942012      0.182456
  H      -2.808696      1.628746     -0.573461
  H      -2.928248      2.777773      3.111005
  H      -3.222713      0.912025      4.204182
  H      -3.708902     -0.856519      5.605811
  H      -6.158346     -3.093287      4.625583
  H      -7.240369     -1.527851      5.549682
  H     -10.435364     -1.181596      3.339323
  H      -9.383672     -3.824968      0.961933
  H      -8.069106     -5.074132     -0.198813
  H       0.105516     -5.517825      6.539252
  H       0.918384     -5.157688     10.091284
  H      -2.574495     -4.015393     11.181153
  H      -3.806278     -4.311413      9.336285
  H      -5.289806     -4.958082      7.675279
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.840160897445
  N      -3.033170     -3.367181      2.480030
  C      -2.758291     -4.139820      1.255003
  C      -2.147695     -5.466183      1.647169
  N      -2.989723     -6.132614      2.679390
  C      -4.149834     -6.830822      2.032740
  C      -5.433035     -6.495964      2.772356
  N      -5.458311     -5.067470      3.076306
  Mo     -3.713917     -4.470718      4.019897
  N      -2.205915     -5.299626      5.155940
  C      -1.301537     -6.224290      4.460977
  C      -2.161900     -7.046402      3.511885
  H      -0.808953     -6.904846      5.170914
  H      -0.510454     -5.678241      3.922059
  H      -2.851175     -7.673684      4.094303
  H      -1.543726     -7.700241      2.872555
  H      -6.295349     -6.811239      2.172857
  H      -5.480134     -7.042605      3.732806
  H      -4.245151     -6.463232      1.006327
  H      -3.964510     -7.915166      2.007149
  H      -2.037867     -3.618292      0.609565
  H      -3.692735     -4.278712      0.682964
  H      -1.152624     -5.286270      2.072613
  H      -2.033111     -6.126700      0.772670
  C      -3.066750     -1.991375      2.349632
  C      -2.912420     -1.357442      1.096989
  C      -2.823647      0.020624      0.933846
  C      -2.703455      0.530654     -0.454810
  O      -2.553713     -0.208386     -1.424465
  C      -2.896006      0.868097      2.086799
  C      -2.729951      2.332270      2.100575
  O      -2.410302      3.049021      1.162202
  C      -3.128156      0.273482      3.316360
  C      -3.259184     -1.125393      3.495345
  C      -3.630088     -1.577283      4.775647
  O      -3.933812     -2.803521      5.059772
  C      -6.571559     -4.307419      2.889830
  C      -6.864403     -3.273434      3.819621
  C      -8.029172     -2.519097      3.790103
  C      -8.146565     -1.546289      4.902614
  O      -9.072840     -0.782577      5.125753
  C      -9.002586     -2.746475      2.765182
  C     -10.276765     -2.013772      2.635424
  O     -11.115163     -2.275591      1.774320
  C      -8.685174     -3.697733      1.798712
  C      -7.499266     -4.448425      1.787623
  C      -7.213554     -5.102965      0.512153
  O      -6.141561     -5.584578      0.142231
  C      -2.043652     -5.111213      6.494377
  C      -0.776875     -5.231444      7.118176
  C      -0.575030     -4.926210      8.457198
  C       0.816989     -5.088850      8.984701
  O       1.788416     -5.180738      8.249067
  C      -1.674698     -4.540271      9.281461
  C      -1.576598     -4.126377     10.688396
  O      -0.548830     -3.904463     11.315818
  C      -2.944294     -4.532352      8.706072
  C      -3.161210     -4.799847      7.345694
  C      -4.512049     -4.975136      6.894785
  O      -4.876123     -5.177301      5.708433
  H      -2.873659     -1.937858      0.176867
  H      -2.765619      1.629776     -0.574653
  H      -2.917554      2.777260      3.111315
  H      -3.227968      0.910549      4.200135
  H      -3.727251     -0.853354      5.593977
  H      -6.168336     -3.117327      4.643078
  H      -7.251652     -1.558499      5.577181
  H     -10.443676     -1.195865      3.364189
  H      -9.387479     -3.821594      0.969036
  H      -8.078058     -5.070486     -0.193995
  H       0.101868     -5.508986      6.535383
  H       0.914414     -5.146630     10.086622
  H      -2.575612     -4.006786     11.179321
  H      -3.810963     -4.308091      9.335445
  H      -5.292018     -4.985885      7.678282
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.840233191469
  N      -3.032718     -3.364211      2.473657
  C      -2.752781     -4.136432      1.249203
  C      -2.143910     -5.462417      1.644175
  N      -2.990758     -6.127579      2.672713
  C      -4.149077     -6.823687      2.020749
  C      -5.430191     -6.497498      2.766704
  N      -5.458273     -5.068898      3.074362
  Mo     -3.718296     -4.467079      4.013426
  N      -2.216392     -5.301628      5.154811
  C      -1.310635     -6.226171      4.461502
  C      -2.168250     -7.044413      3.506945
  H      -0.824191     -6.911038      5.171863
  H      -0.513525     -5.681856      3.929580
  H      -2.861850     -7.670363      4.085789
  H      -1.550043     -7.699563      2.869081
  H      -6.296507     -6.812155      2.172929
  H      -5.469682     -7.045674      3.726640
  H      -4.249081     -6.444830      0.998811
  H      -3.958134     -7.906619      1.981800
  H      -2.029163     -3.614416      0.607910
  H      -3.684853     -4.274253      0.673313
  H      -1.151354     -5.281736      2.075419
  H      -2.024813     -6.123856      0.770989
  C      -3.059789     -1.988462      2.343600
  C      -2.894217     -1.353348      1.092982
  C      -2.797780      0.024789      0.931787
  C      -2.662854      0.534228     -0.455681
  O      -2.515205     -0.205687     -1.425090
  C      -2.875794      0.871553      2.085001
  C      -2.704924      2.335059      2.100954
  O      -2.377878      3.052049      1.165292
  C      -3.119863      0.276655      3.311891
  C      -3.256668     -1.122017      3.488247
  C      -3.635053     -1.572944      4.766522
  O      -3.938371     -2.799558      5.050629
  C      -6.576876     -4.313525      2.895530
  C      -6.871761     -3.284535      3.829811
  C      -8.039105     -2.533433      3.804648
  C      -8.152945     -1.558345      4.915432
  O      -9.073134     -0.785763      5.133530
  C      -9.014247     -2.762170      2.782523
  C     -10.295444     -2.040028      2.662161
  O     -11.134148     -2.303363      1.801773
  C      -8.696027     -3.709501      1.811946
  C      -7.506802     -4.454648      1.795587
  C      -7.223495     -5.104902      0.516912
  O      -6.151256     -5.580722      0.140905
  C      -2.051275     -5.107128      6.491737
  C      -0.783385     -5.226206      7.114138
  C      -0.581640     -4.918022      8.452498
  C       0.809368     -5.082532      8.981536
  O       1.782183     -5.171365      8.247436
  C      -1.680740     -4.530396      9.276262
  C      -1.580108     -4.111233     10.681459
  O      -0.550502     -3.882675     11.303722
  C      -2.951315     -4.524861      8.703144
  C      -3.168255     -4.794674      7.343337
  C      -4.518443     -4.977816      6.892761
  O      -4.882290     -5.177078      5.706679
  H      -2.851227     -1.930769      0.171068
  H      -2.711334      1.634029     -0.575361
  H      -2.896199      2.779947      3.111137
  H      -3.224137      0.913394      4.195368
  H      -3.737440     -0.848595      5.583780
  H      -6.173996     -3.127258      4.651514
  H      -7.260704     -1.576684      5.593367
  H     -10.468558     -1.230405      3.398705
  H      -9.401137     -3.833915      0.984832
  H      -8.091449     -5.074505     -0.185084
  H       0.095094     -5.506285      6.532335
  H       0.905189     -5.145701     10.083357
  H      -2.577126     -3.995212     11.176997
  H      -3.817563     -4.300781      9.333069
  H      -5.297620     -5.004189      7.677241
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.840282567463
  N      -3.029930     -3.359969      2.469052
  C      -2.746672     -4.132568      1.245767
  C      -2.140490     -5.458670      1.642682
  N      -2.992795     -6.123626      2.667019
  C      -4.149732     -6.816066      2.008868
  C      -5.428138     -6.496376      2.760624
  N      -5.458386     -5.067491      3.070876
  Mo     -3.722784     -4.462177      4.007475
  N      -2.226310     -5.303510      5.151634
  C      -1.320566     -6.230030      4.461733
  C      -2.175656     -7.044472      3.501592
  H      -0.839503     -6.917573      5.173335
  H      -0.517748     -5.688878      3.934819
  H      -2.872804     -7.669560      4.077331
  H      -1.557903     -7.700502      2.864433
  H      -6.298863     -6.811786      2.173903
  H      -5.460745     -7.044916      3.720699
  H      -4.252321     -6.427036      0.990999
  H      -3.955611     -7.897933      1.958367
  H      -2.020435     -3.611316      0.606749
  H      -3.676857     -4.268113      0.666361
  H      -1.150553     -5.277807      2.079996
  H      -2.016646     -6.120331      0.770342
  C      -3.050013     -1.984406      2.340190
  C      -2.875226     -1.348416      1.091280
  C      -2.770568      0.029544      0.931806
  C      -2.624536      0.539405     -0.453963
  O      -2.483482     -0.200604     -1.424530
  C      -2.850540      0.875462      2.085766
  C      -2.672842      2.337948      2.104555
  O      -2.337220      3.055154      1.172004
  C      -3.104274      0.280461      3.310548
  C      -3.248321     -1.117842      3.484660
  C      -3.633003     -1.568136      4.760749
  O      -3.940481     -2.794888      5.043051
  C      -6.582062     -4.317455      2.898272
  C      -6.878403     -3.290495      3.834345
  C      -8.051135     -2.547210      3.815375
  C      -8.162539     -1.567988      4.922650
  O      -9.081444     -0.793251      5.138587
  C      -9.030908     -2.783292      2.799805
  C     -10.321721     -2.076538      2.690916
  O     -11.162573     -2.346975      1.834754
  C      -8.710729     -3.726628      1.825693
  C      -7.516002     -4.462230      1.802283
  C      -7.233276     -5.107911      0.520860
  O      -6.159630     -5.574898      0.138757
  C      -2.059354     -5.103649      6.487553
  C      -0.790655     -5.221191      7.109362
  C      -0.588715     -4.909596      8.446785
  C       0.801332     -5.076359      8.977155
  O       1.775562     -5.160413      8.244423
  C      -1.687381     -4.519859      9.269830
  C      -1.583040     -4.094107     10.672770
  O      -0.550935     -3.855109     11.287056
  C      -2.958847     -4.517286      8.698821
  C      -3.175500     -4.790083      7.339550
  C      -4.525561     -4.979033      6.889782
  O      -4.888539     -5.176045      5.703618
  H      -2.830531     -1.923792      0.168075
  H      -2.657766      1.639902     -0.572249
  H      -2.866954      2.782636      3.114351
  H      -3.210420      0.917290      4.193719
  H      -3.736708     -0.845751      5.579443
  H      -6.177399     -3.125527      4.651733
  H      -7.269020     -1.583924      5.599007
  H     -10.501471     -1.273543      3.433057
  H      -9.419768     -3.855176      1.002608
  H      -8.105104     -5.081758     -0.176714
  H       0.087257     -5.504258      6.528202
  H       0.895720     -5.147164     10.078688
  H      -2.577741     -3.981126     11.173414
  H      -3.824396     -4.292839      9.329476
  H      -5.304412     -5.016252      7.673713
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.840308325615
  N      -3.026698     -3.357531      2.467231
  C      -2.742230     -4.130535      1.244916
  C      -2.138600     -5.457273      1.642314
  N      -2.995043     -6.122555      2.663450
  C      -4.151323     -6.811573      2.000749
  C      -5.428285     -6.494862      2.755030
  N      -5.459486     -5.066058      3.067500
  Mo     -3.726675     -4.459251      4.003483
  N      -2.233164     -5.305456      5.148036
  C      -1.328118     -6.234381      4.461518
  C      -2.181765     -7.046522      3.497884
  H      -0.849719     -6.922106      5.174711
  H      -0.522415     -5.695773      3.936060
  H      -2.880875     -7.671342      4.071666
  H      -1.564139     -7.702760      2.861003
  H      -6.301067     -6.811045      2.171812
  H      -5.458375     -7.044016      3.714924
  H      -4.253591     -6.416889      0.985056
  H      -3.957240     -7.893176      1.944367
  H      -2.014679     -3.610572      0.606189
  H      -3.671521     -4.263998      0.663490
  H      -1.150183     -5.277176      2.083357
  H      -2.012007     -6.118450      0.770005
  C      -3.041660     -1.982037      2.340087
  C      -2.861958     -1.345480      1.092152
  C      -2.751191      0.032140      0.933990
  C      -2.599719      0.543371     -0.450242
  O      -2.465569     -0.195895     -1.422588
  C      -2.829683      0.877234      2.088910
  C      -2.646259      2.338871      2.110539
  O      -2.305510      3.056741      1.180264
  C      -3.088255      0.282030      3.312616
  C      -3.238656     -1.115877      3.485277
  C      -3.627177     -1.566193      4.759654
  O      -3.941417     -2.792628      5.038966
  C      -6.586194     -4.319482      2.898583
  C      -6.883722     -3.293622      3.835632
  C      -8.061175     -2.557598      3.821901
  C      -8.172596     -1.576806      4.927723
  O      -9.093415     -0.804586      5.144396
  C      -9.044687     -2.799836      2.811256
  C     -10.342311     -2.104382      2.710520
  O     -11.184500     -2.380035      1.857286
  C      -8.722091     -3.739323      1.834287
  C      -7.522931     -4.467065      1.805218
  C      -7.238771     -5.107987      0.521683
  O      -6.163479     -5.567821      0.136145
  C      -2.065517     -5.101190      6.483199
  C      -0.796215     -5.215899      7.104925
  C      -0.593779     -4.900669      8.441193
  C       0.796146     -5.067410      8.971891
  O       1.771269     -5.144891      8.239710
  C      -1.692292     -4.509717      9.263876
  C      -1.584282     -4.077883     10.664506
  O      -0.549943     -3.829427     11.271284
  C      -2.964416     -4.511054      8.694392
  C      -3.181004     -4.787339      7.335800
  C      -4.531196     -4.980191      6.887250
  O      -4.893354     -5.176235      5.700860
  H      -2.817915     -1.920232      0.168495
  H      -2.621739      1.644369     -0.566402
  H      -2.840749      2.782650      3.120678
  H      -3.193567      0.918864      4.195884
  H      -3.728571     -0.846677      5.581046
  H      -6.180537     -3.121704      4.649740
  H      -7.276749     -1.587982      5.601162
  H     -10.526713     -1.305842      3.456248
  H      -9.433523     -3.871311      1.013771
  H      -8.112566     -5.084349     -0.173770
  H       0.081109     -5.500821      6.523708
  H       0.889865     -5.145780     10.073015
  H      -2.577157     -3.966461     11.169050
  H      -3.829442     -4.286377      9.325651
  H      -5.309761     -5.022783      7.670132
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.840320441829
  N      -3.024747     -3.357512      2.467087
  C      -2.740313     -4.130612      1.245180
  C      -2.138145     -5.457995      1.642251
  N      -2.996723     -6.123693      2.661563
  C      -4.152769     -6.810729      1.996622
  C      -5.429877     -6.494580      2.750513
  N      -5.461045     -5.066279      3.065333
  Mo     -3.729645     -4.459045      4.001343
  N      -2.237002     -5.307564      5.145586
  C      -1.332403     -6.237908      4.461165
  C      -2.185518     -7.049167      3.496124
  H      -0.854641     -6.924627      5.175660
  H      -0.526236     -5.700354      3.935167
  H      -2.885440     -7.674117      4.068770
  H      -1.567402     -7.705135      2.859480
  H      -6.302363     -6.810500      2.166659
  H      -5.461145     -7.045191      3.709587
  H      -4.253190     -6.414577      0.981360
  H      -3.960279     -7.892599      1.939216
  H      -2.012568     -3.611617      0.605791
  H      -3.669527     -4.263190      0.663287
  H      -1.150181     -5.278861      2.084611
  H      -2.010681     -6.118425      0.769489
  C      -3.036945     -1.981939      2.341416
  C      -2.855609     -1.344994      1.093882
  C      -2.741446      0.032311      0.936656
  C      -2.588186      0.544988     -0.446625
  O      -2.458529     -0.193403     -1.420359
  C      -2.817398      0.876761      2.092376
  C      -2.630893      2.337993      2.116159
  O      -2.289551      3.056936      1.186889
  C      -3.077191      0.281203      3.315723
  C      -3.231837     -1.116409      3.487558
  C      -3.622238     -1.567173      4.760877
  O      -3.942485     -2.793051      5.037374
  C      -6.588863     -4.320772      2.898386
  C      -6.887697     -3.296965      3.837269
  C      -8.067478     -2.564678      3.826467
  C      -8.180754     -1.586230      4.934173
  O      -9.103944     -0.817533      5.153156
  C      -9.051913     -2.807969      2.816573
  C     -10.351929     -2.116506      2.719007
  O     -11.193695     -2.392271      1.865380
  C      -8.727093     -3.743799      1.837061
  C      -7.525922     -4.467968      1.805106
  C      -7.239310     -5.104164      0.519868
  O      -6.162757     -5.560484      0.133771
  C      -2.069198     -5.099658      6.479993
  C      -0.799405     -5.211160      7.101703
  C      -0.596417     -4.892536      8.436847
  C       0.793985     -5.057491      8.967197
  O       1.769520     -5.128315      8.235012
  C      -1.694900     -4.501020      9.259497
  C      -1.584077     -4.064463     10.658144
  O      -0.548130     -3.810396     11.259893
  C      -2.967439     -4.506145      8.690953
  C      -3.184351     -4.785856      7.333156
  C      -4.534584     -4.981343      6.885740
  O      -4.896353     -5.177665      5.699244
  H      -2.813016     -1.919952      0.170307
  H      -2.604179      1.646290     -0.560887
  H      -2.823667      2.780336      3.127241
  H      -3.180669      0.917750      4.199429
  H      -3.720339     -0.849824      5.584513
  H      -6.184310     -3.123008      4.650822
  H      -7.283834     -1.595343      5.606263
  H     -10.538581     -1.320871      3.467228
  H      -9.438570     -3.876101      1.016572
  H      -8.112774     -5.079906     -0.176101
  H       0.077495     -5.496844      6.520111
  H       0.887513     -5.141905     10.067934
  H      -2.575790     -3.953190     11.165042
  H      -3.832258     -4.281300      9.322465
  H      -5.312887     -5.025599      7.667993
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.840326740316
  N      -3.024163     -3.358414      2.466728
  C      -2.740149     -4.131398      1.244844
  C      -2.138609     -5.459214      1.641441
  N      -2.998065     -6.125505      2.659644
  C      -4.153833     -6.811813      1.993668
  C      -5.431699     -6.495721      2.746296
  N      -5.462939     -5.067920      3.062992
  Mo     -3.732732     -4.459961      3.999208
  N      -2.240154     -5.309183      5.143346
  C      -1.335277     -6.240044      4.460399
  C      -2.187843     -7.051285      3.494746
  H      -0.857700     -6.925595      5.176074
  H      -0.529317     -5.702751      3.933764
  H      -2.888112     -7.676610      4.066484
  H      -1.568742     -7.706749      2.858498
  H      -6.303180     -6.811176      2.160661
  H      -5.464677     -7.047801      3.704493
  H      -4.252467     -6.415911      0.978171
  H      -3.962695     -7.894004      1.936991
  H      -2.012624     -3.612968      0.604727
  H      -3.669608     -4.263904      0.663213
  H      -1.150736     -5.280709      2.084182
  H      -2.010850     -6.118883      0.768116
  C      -3.033680     -1.982674      2.342532
  C      -2.850614     -1.345083      1.095545
  C      -2.732994      0.031938      0.939656
  C      -2.577669      0.546071     -0.442799
  O      -2.450724     -0.191432     -1.417622
  C      -2.806537      0.875501      2.096279
  C      -2.616968      2.336382      2.122294
  O      -2.276060      3.056506      1.193765
  C      -3.067754      0.279363      3.319071
  C      -3.226697     -1.117966      3.489686
  C      -3.619425     -1.569316      4.761910
  O      -3.945018     -2.794622      5.035666
  C      -6.591605     -4.322965      2.898209
  C      -6.891432     -3.301887      3.839639
  C      -8.072541     -2.571756      3.831446
  C      -8.187609     -1.597374      4.942582
  O      -9.113442     -0.833071      5.165771
  C      -9.057148     -2.813807      2.821102
  C     -10.357798     -2.123256      2.725382
  O     -11.198870     -2.396835      1.870354
  C      -8.730844     -3.746102      1.838894
  C      -7.528633     -4.468489      1.804562
  C      -7.240416     -5.099940      0.517439
  O      -6.162926     -5.553607      0.130633
  C      -2.072268     -5.097162      6.476888
  C      -0.801951     -5.205065      7.098429
  C      -0.598717     -4.883120      8.432552
  C       0.792196     -5.045625      8.962686
  O       1.768241     -5.109225      8.230640
  C      -1.697356     -4.491464      9.255099
  C      -1.584291     -4.050655     10.651902
  O      -0.546842     -3.795193     11.250603
  C      -2.970211     -4.500314      8.687298
  C      -3.187460     -4.783475      7.330348
  C      -4.537462     -4.982139      6.883696
  O      -4.898746     -5.179987      5.697228
  H      -2.809373     -1.920070      0.171955
  H      -2.588473      1.647650     -0.555183
  H      -2.807674      2.777094      3.134479
  H      -3.169437      0.915260      4.203485
  H      -3.714847     -0.853543      5.587203
  H      -6.188072     -3.128261      4.653338
  H      -7.289840     -1.605927      5.613577
  H     -10.544877     -1.329290      3.475260
  H      -9.441899     -3.877242      1.017801
  H      -8.113123     -5.073467     -0.179426
  H       0.074738     -5.490944      6.516534
  H       0.885242     -5.136955     10.062971
  H      -2.574845     -3.942258     11.161727
  H      -3.835086     -4.275508      9.318812
  H      -5.316713     -5.027078      7.665714
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.840320270797
  N      -3.025893     -3.360875      2.468060
  C      -2.743904     -4.132964      1.245251
  C      -2.142179     -5.461449      1.639936
  N      -3.000764     -6.129047      2.657785
  C      -4.156641     -6.815439      1.992355
  C      -5.436004     -6.498761      2.742661
  N      -5.466878     -5.071924      3.062116
  Mo     -3.737302     -4.463242      3.998218
  N      -2.242934     -5.312042      5.140905
  C      -1.337456     -6.242324      4.458256
  C      -2.190076     -7.054210      3.493147
  H      -0.858869     -6.926156      5.174829
  H      -0.533204     -5.704181      3.929939
  H      -2.889833     -7.680546      4.064228
  H      -1.569484     -7.708450      2.856941
  H      -6.305167     -6.812688      2.152681
  H      -5.472443     -7.053548      3.699170
  H      -4.253119     -6.421843      0.975760
  H      -3.967597     -7.898206      1.938688
  H      -2.017616     -3.614732      0.603633
  H      -3.674521     -4.265953      0.665467
  H      -1.153568     -5.283912      2.081319
  H      -2.015565     -6.119624      0.765265
  C      -3.032204     -1.984734      2.346439
  C      -2.848098     -1.345487      1.100384
  C      -2.726400      0.031262      0.947135
  C      -2.569561      0.548075     -0.434256
  O      -2.447290     -0.187749     -1.410938
  C      -2.795944      0.872905      2.105464
  C      -2.602976      2.333459      2.134989
  O      -2.263972      3.055709      1.207441
  C      -3.057747      0.275170      3.327365
  C      -3.222068     -1.121882      3.495570
  C      -3.617216     -1.574779      4.766424
  O      -3.949392     -2.799301      5.036170
  C      -6.595586     -4.326406      2.898576
  C      -6.897141     -3.308153      3.842242
  C      -8.078062     -2.577784      3.833674
  C      -8.197095     -1.609618      4.949892
  O      -9.125771     -0.849859      5.176849
  C      -9.060067     -2.815552      2.819350
  C     -10.358121     -2.120582      2.720408
  O     -11.198177     -2.391487      1.863537
  C      -8.731812     -3.745378      1.835697
  C      -7.530304     -4.469250      1.802648
  C      -7.239134     -5.098727      0.515391
  O      -6.161868     -5.557342      0.133214
  C      -2.074315     -5.094879      6.473146
  C      -0.802850     -5.197658      7.093447
  C      -0.598628     -4.871750      8.426236
  C       0.793468     -5.030403      8.955008
  O       1.770050     -5.079294      8.222736
  C      -1.697147     -4.480826      9.249550
  C      -1.580704     -4.035736     10.644182
  O      -0.541834     -3.769359     11.235876
  C      -2.970663     -4.494403      8.683288
  C      -3.189364     -4.781893      7.327638
  C      -4.539057     -4.984702      6.882491
  O      -4.900519     -5.185361      5.696363
  H      -2.809400     -1.920110      0.176520
  H      -2.577297      1.649996     -0.543837
  H      -2.787964      2.770905      3.149638
  H      -3.156331      0.909379      4.213385
  H      -3.708740     -0.860869      5.593763
  H      -6.195514     -3.137250      4.658043
  H      -7.298515     -1.616899      5.619828
  H     -10.545538     -1.328346      3.472047
  H      -9.440263     -3.873975      1.011898
  H      -8.109305     -5.070405     -0.184485
  H       0.073338     -5.482871      6.510390
  H       0.886654     -5.130862     10.054567
  H      -2.570214     -3.919589     11.154373
  H      -3.835472     -4.269954      9.315128
  H      -5.319574     -5.029185      7.664805
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.840331912507
  N      -3.025822     -3.360019      2.467029
  C      -2.743053     -4.132521      1.244468
  C      -2.141231     -5.460637      1.640142
  N      -2.999776     -6.127434      2.658457
  C      -4.155547     -6.814370      1.993327
  C      -5.434308     -6.498020      2.744686
  N      -5.465473     -5.070671      3.062526
  Mo     -3.735685     -4.461875      3.998441
  N      -2.242017     -5.310425      5.142123
  C      -1.336437     -6.240462      4.459060
  C      -2.188950     -7.052332      3.493974
  H      -0.858531     -6.925369      5.175153
  H      -0.531290     -5.702480      3.931966
  H      -2.888935     -7.678137      4.065426
  H      -1.568925     -7.707215      2.857928
  H      -6.304457     -6.812479      2.156542
  H      -5.468909     -7.051447      3.702036
  H      -4.253500     -6.420131      0.977101
  H      -3.965017     -7.896784      1.938546
  H      -2.016149     -3.614120      0.603729
  H      -3.673228     -4.265505      0.664099
  H      -1.152850     -5.282567      2.081918
  H      -2.014313     -6.119616      0.766143
  C      -3.032825     -1.984035      2.344170
  C      -2.848215     -1.345349      1.097935
  C      -2.727811      0.031557      0.943790
  C      -2.570485      0.546964     -0.438099
  O      -2.444719     -0.189744     -1.413635
  C      -2.799778      0.873935      2.101372
  C      -2.608147      2.334625      2.129341
  O      -2.268509      3.055927      1.201302
  C      -3.062372      0.276847      3.323372
  C      -3.224671     -1.120333      3.492287
  C      -3.619495     -1.572410      4.763635
  O      -3.948278     -2.797290      5.035410
  C      -6.594379     -4.325457      2.898833
  C      -6.895838     -3.307052      3.842428
  C      -8.076771     -2.576613      3.833977
  C      -8.194784     -1.607166      4.949144
  O      -9.122917     -0.846627      5.175723
  C      -9.059103     -2.815114      2.820512
  C     -10.357949     -2.121494      2.722581
  O     -11.197725     -2.392143      1.865368
  C      -8.731388     -3.745352      1.836900
  C      -7.529622     -4.468730      1.803443
  C      -7.239819     -5.098346      0.515831
  O      -6.162050     -5.553147      0.130760
  C      -2.073420     -5.095195      6.474808
  C      -0.802275     -5.200215      7.095307
  C      -0.598517     -4.875913      8.428691
  C       0.792971     -5.036148      8.958179
  O       1.769428     -5.091224      8.226123
  C      -1.696986     -4.484526      9.251605
  C      -1.581714     -4.040971     10.647033
  O      -0.543105     -3.781155     11.242042
  C      -2.970308     -4.495913      8.684927
  C      -3.188544     -4.781679      7.328778
  C      -4.538209     -4.982995      6.882854
  O      -4.899749     -5.182893      5.696747
  H      -2.808054     -1.919783      0.173986
  H      -2.578495      1.648732     -0.548967
  H      -2.795880      2.773558      3.142853
  H      -3.162842      0.911641      4.208732
  H      -3.713583     -0.857150      5.589525
  H      -6.193896     -3.136324      4.657939
  H      -7.296981     -1.615842      5.620070
  H     -10.544641     -1.327836      3.472904
  H      -9.440544     -3.874186      1.013804
  H      -8.110621     -5.069234     -0.183191
  H       0.074123     -5.485622      6.512748
  H       0.885658     -5.135377     10.057872
  H      -2.571265     -3.929718     11.158143
  H      -3.835114     -4.271035      9.316551
  H      -5.318108     -5.027739      7.665033
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.840329536290
  N      -3.025921     -3.359739      2.466543
  C      -2.742977     -4.132289      1.243972
  C      -2.141336     -5.460417      1.639835
  N      -3.000079     -6.127023      2.658033
  C      -4.155715     -6.813991      1.992733
  C      -5.434365     -6.497972      2.744377
  N      -5.465633     -5.070566      3.062186
  Mo     -3.736156     -4.461442      3.997960
  N      -2.242766     -5.310202      5.141977
  C      -1.337088     -6.240136      4.458946
  C      -2.189410     -7.051911      3.493676
  H      -0.859690     -6.925476      5.175013
  H      -0.531423     -5.702296      3.932496
  H      -2.889606     -7.677552      4.065074
  H      -1.569467     -7.706987      2.857767
  H      -6.304767     -6.812256      2.156517
  H      -5.468551     -7.051323      3.701776
  H      -4.254051     -6.419312      0.976708
  H      -3.964664     -7.896274      1.937349
  H      -2.015767     -3.613926      0.603585
  H      -3.673040     -4.265111      0.663442
  H      -1.153076     -5.282373      2.081926
  H      -2.014246     -6.119484      0.765931
  C      -3.032046     -1.983781      2.343677
  C      -2.846118     -1.344941      1.097729
  C      -2.725043      0.031987      0.943827
  C      -2.566135      0.547213     -0.437952
  O      -2.442019     -0.189641     -1.413586
  C      -2.797885      0.874261      2.101426
  C      -2.605979      2.334894      2.129530
  O      -2.265744      3.056202      1.201722
  C      -3.061787      0.277125      3.323097
  C      -3.224548     -1.120049      3.491660
  C      -3.620218     -1.571992      4.762798
  O      -3.948807     -2.796903      5.034684
  C      -6.594894     -4.325649      2.899043
  C      -6.896600     -3.307720      3.843037
  C      -8.077722     -2.577512      3.834794
  C      -8.196059     -1.608619      4.950379
  O      -9.124503     -0.848586      5.177397
  C      -9.059823     -2.815785      2.821188
  C     -10.358783     -2.122346      2.723350
  O     -11.199440     -2.394552      1.867508
  C      -8.732030     -3.745725      1.837263
  C      -7.530114     -4.468822      1.803695
  C      -7.240581     -5.098561      0.516032
  O      -6.163663     -5.555883      0.131654
  C      -2.073904     -5.094832      6.474599
  C      -0.802629     -5.200051      7.094899
  C      -0.598927     -4.875676      8.428284
  C       0.792309     -5.036455      8.958103
  O       1.769559     -5.086055      8.226737
  C      -1.697278     -4.483923      9.251037
  C      -1.581343     -4.039609     10.646148
  O      -0.542025     -3.782829     11.241278
  C      -2.970707     -4.495236      8.684671
  C      -3.188973     -4.781113      7.328528
  C      -4.538565     -4.982621      6.882543
  O      -4.900181     -5.182558      5.696497
  H      -2.805364     -1.918998      0.173559
  H      -2.574649      1.648946     -0.549064
  H      -2.794260      2.773875      3.142928
  H      -3.162908      0.911847      4.208423
  H      -3.715089     -0.856521      5.588407
  H      -6.194615     -3.137181      4.658550
  H      -7.297913     -1.616697      5.620841
  H     -10.546152     -1.329752      3.474629
  H      -9.441216     -3.874372      1.014186
  H      -8.112337     -5.072068     -0.181899
  H       0.073700     -5.485666      6.512379
  H       0.884837     -5.134809     10.057906
  H      -2.570164     -3.932280     11.159434
  H      -3.835417     -4.270033      9.316287
  H      -5.318176     -5.027794      7.664633
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668075-w7Z0/orca E -6257.840333879799
  N      -3.026271     -3.360125      2.466355
  C      -2.743399     -4.132630      1.243687
  C      -2.141647     -5.460754      1.639516
  N      -3.000198     -6.127376      2.657776
  C      -4.155721     -6.814688      1.992678
  C      -5.434682     -6.498597      2.743873
  N      -5.466018     -5.071262      3.061827
  Mo     -3.736718     -4.461812      3.997623
  N      -2.243089     -5.310140      5.141793
  C      -1.337145     -6.239819      4.458757
  C      -2.189342     -7.051892      3.493667
  H      -0.859721     -6.925062      5.174918
  H      -0.531604     -5.701788      3.932340
  H      -2.889469     -7.677583      4.065076
  H      -1.569162     -7.706922      2.857919
  H      -6.304717     -6.812656      2.155348
  H      -5.469304     -7.052158      3.701127
  H      -4.253921     -6.420506      0.976449
  H      -3.964610     -7.896991      1.937830
  H      -2.016239     -3.614241      0.603298
  H      -3.673545     -4.265642      0.663350
  H      -1.153307     -5.282724      2.081434
  H      -2.014677     -6.119760      0.765543
  C      -3.031915     -1.984132      2.343607
  C      -2.845357     -1.345124      1.097839
  C      -2.723865      0.031798      0.944219
  C      -2.564215      0.547099     -0.437486
  O      -2.438510     -0.189695     -1.412947
  C      -2.796893      0.873913      2.101914
  C      -2.604863      2.334545      2.130272
  O      -2.264832      3.056044      1.202551
  C      -3.061350      0.276641      3.323387
  C      -3.224587     -1.120519      3.491646
  C      -3.620861     -1.572517      4.762600
  O      -3.949733     -2.797370      5.034281
  C      -6.595430     -4.326344      2.899232
  C      -6.897461     -3.309448      3.844176
  C      -8.078581     -2.579219      3.836317
  C      -8.197618     -1.612096      4.953362
  O      -9.126978     -0.853683      5.182065
  C      -9.060215     -2.816303      2.822001
  C     -10.358744     -2.122068      2.723979
  O     -11.198739     -2.392555      1.866955
  C      -8.732193     -3.745353      1.837316
  C      -7.530352     -4.468620      1.803529
  C      -7.240758     -5.097429      0.515425
  O      -6.163500     -5.553469      0.130420
  C      -2.074154     -5.094198      6.474261
  C      -0.802749     -5.198920      7.094430
  C      -0.599091     -4.874073      8.427697
  C       0.792188     -5.034407      8.957527
  O       1.769294     -5.084967      8.226061
  C      -1.697485     -4.482370      9.250400
  C      -1.581157     -4.037487     10.645223
  O      -0.541722     -3.777767     11.238929
  C      -2.970961     -4.494078      8.684165
  C      -3.189301     -4.780495      7.328158
  C      -4.538769     -4.982533      6.882191
  O      -4.900395     -5.183009      5.696217
  H      -2.804431     -1.919047      0.173597
  H      -2.571012      1.648874     -0.548311
  H      -2.792789      2.773251      3.143859
  H      -3.162593      0.911179      4.208832
  H      -3.715881     -0.856944      5.588106
  H      -6.195679     -3.139997      4.660099
  H      -7.299417     -1.620462      5.623739
  H     -10.545304     -1.328749      3.474702
  H      -9.441041     -3.873096      1.013813
  H      -8.111893     -5.068897     -0.183170
  H       0.073576     -5.484428      6.511865
  H       0.884130     -5.138373     10.056876
  H      -2.569854     -3.927513     11.158162
  H      -3.835715     -4.268784      9.315695
  H      -5.318459     -5.027583      7.664334
