79
Coordinates from ORCA-job /scratch/magstr/orcajob__5661769-55ez/orca
  N   -2.97878037220043     -3.39451587621094      2.54622801858461
  C   -2.32715744173410     -4.15607088568729      1.47745888454430
  C   -2.11579243141224     -5.59633152503760      1.91256949132896
  N   -3.32974171693263     -6.09776414539107      2.57665681145218
  C   -4.41277728802813     -6.43167879176477      1.63548964220620
  C   -5.75900932011621     -6.27223699695817      2.32608039371739
  N   -5.82339400063637     -4.99025587370470      3.01926104297770
  Mo  -4.13576038540452     -4.30483416655703      3.86903362484825
  N   -3.07855699315831     -5.35022079672810      5.20013322290263
  C   -2.40483959169809     -6.58055364405159      4.78991257697732
  C   -3.07119177365896     -7.16578758438038      3.55671091383325
  H   -2.43117408527744     -7.34105214611121      5.58968529032692
  H   -1.33526665842019     -6.38811275063699      4.58212969547510
  H   -4.04401572773019     -7.59007794054954      3.83801408155289
  H   -2.45746829329712     -7.97687679893843      3.12026050100848
  H   -6.54824038501132     -6.32751672546390      1.55848753643526
  H   -5.94021347764623     -7.12427077293948      3.00620808404961
  H   -4.35538499952670     -5.72042324520107      0.80215531482982
  H   -4.28676358381012     -7.45101266193901      1.22449324985096
  H   -1.34079136638772     -3.72882450126017      1.23591141784233
  H   -2.92567600490997     -4.10937629424194      0.54551859646612
  H   -1.30247388783666     -5.61943073381597      2.64883821638732
  H   -1.82657185396869     -6.23567170778057      1.05740851995889
  C   -5.36038634459612      0.73734331976609      1.91351356663237
  C   -4.00469572657818      0.05388406506639      1.82120386057353
  N   -3.99486377885089     -1.20023860317536      2.57442566398912
  C   -2.73676689404762     -1.95232639541665      2.45351859306219
  C   -1.74233299818823     -1.44346819718037      3.51628261051608
  C   -0.29965115638538     -1.84154630567009      3.31066638146565
  F   -0.10251227261040     -3.23457728406905      3.51716326255216
  C   -8.57657775145377     -1.01617697056188      3.50279838439210
  C   -8.59361140332784     -2.53723089618205      3.51363441134592
  N   -7.24414790470924     -3.07696853894300      3.34518615202186
  C   -7.19750839470924     -4.52926327397048      3.22202564232460
  C   -7.90299520511931     -5.31722175567078      4.36505698124348
  C   -7.43677799139463     -4.97628042176572      5.75523725681551
  F   -7.98520854071709     -5.91255957039778      6.65890247894207
  C   0.51121758523895     -4.87547569776477      8.08765021114701
  C   -0.06150823630483     -5.11790419780481      6.69540525972736
  N   -1.20830508460848     -4.24745787376530      6.40091467386760
  C   -2.58296899595765     -4.76351767955908      6.47191996714162
  C   -2.79630774108018     -5.69967748956412      7.67775166394726
  C   -4.25394041551349     -6.12682781902284      7.79220674058667
  F   -4.42043909657511     -6.93168543419104      8.94076156563025
  H   -5.36011280379678      1.68180264847642      1.35068561641950
  H   -5.62008483944102      0.95411357905564      2.95908538106289
  H   -6.14892879816597      0.09318401042547      1.49747662450469
  H   -3.23039904595583      0.72055162557297      2.23940409871615
  H   -3.73372305399776     -0.10527605093194      0.75224466507511
  H   -4.75852719740321     -1.80402829057981      2.25343254866544
  H   -2.28185893931129     -1.76025667760396      1.45224497462464
  H   -2.09479817361087     -1.75865202390507      4.50989346622562
  H   -1.75928959213676     -0.34012365336222      3.51240933791053
  H   0.04126292594471     -1.63356821508228      2.28285282816371
  H   0.36217815684323     -1.32492610113000      4.02505931994040
  H   -8.19168721614175     -0.63832831391930      2.54984972069313
  H   -7.93095057800120     -0.62444082720019      4.30629251771679
  H   -9.59139061782287     -0.61357084707555      3.65659143699662
  H   -9.21549909608609     -2.91134605958519      2.68134377817131
  H   -9.08753643111711     -2.88427585620171      4.44281833453891
  H   -6.63581233557861     -2.79903624671273      4.12728523663220
  H   -7.76240628858360     -4.77247765014497      2.29918722002432
  H   -8.98470686265204     -5.15713037545225      4.30385869559082
  H   -7.73806266688833     -6.38661146307638      4.19728698588340
  H   -6.34739504568182     -5.00365732901655      5.86778212187419
  H   -7.77844412984700     -3.98994338484414      6.07621503647832
  H   0.77605547329594     -3.81688927634061      8.20588515427327
  H   1.41644613192930     -5.48551927385689      8.24549449244994
  H   -0.21631833296860     -5.13289946549936      8.87804823889118
  H   0.71216963933799     -4.89961215433553      5.94404519504360
  H   -0.29495386283671     -6.18429350726926      6.58390399789054
  H   -1.08779729022701     -3.83912926410064      5.47447005253836
  H   -3.23970082531462     -3.89108683290134      6.61812581828611
  H   -2.15719406747683     -6.59561857793373      7.62577606031582
  H   -2.50889012085385     -5.15352262080381      8.59199744911698
  H   -4.92410457276938     -5.26601660439189      7.90051506515148
  H   -4.58570920674952     -6.71686868867536      6.93106595892605
  N   -4.70791959686174     -2.98345150945820      4.97813336543206
  H   -4.55356275278098     -1.96304513694619      4.84868575029419
