111
Coordinates from ORCA-job /scratch/magstr/orcajob__5658564-HKoG/orca
  N   -3.60481499457561     -3.37532709993562      2.28691522761335
  C   -3.73657432406248     -4.21116981845591      1.08519358542857
  C   -3.01623458695487     -5.53375834881604      1.30472161753815
  N   -3.59083188820678     -6.14719077808273      2.53597368054836
  C   -4.87541851327218     -6.82712065599928      2.25455293904671
  C   -5.70776010528309     -6.79006307332855      3.50497920619319
  N   -5.82602860586005     -5.39916658056544      3.97285912327688
  Mo  -4.05790764115088     -4.44298323936730      3.93135197287750
  N   -2.74196244652118     -5.45882014998664      4.99528148867934
  C   -1.80782717910444     -6.24919458399467      4.18318570824777
  C   -2.63114024132799     -7.06302950948044      3.20379225645980
  H   -1.20801786872127     -6.92867125220113      4.80162713766558
  H   -1.08875581007411     -5.59959275512842      3.65217153396269
  H   -3.21105185025463     -7.81647036494574      3.75090250872998
  H   -2.01656472439788     -7.57501463339928      2.44518786515993
  H   -6.69179758030006     -7.21669714291744      3.26562118619661
  H   -5.27710368983109     -7.43953290331397      4.29001783685670
  H   -5.38983017861998     -6.27997412468079      1.45614311774062
  H   -4.68310993069129     -7.85480685300675      1.90142379225327
  H   -3.37761293501085     -3.72019316486787      0.17325968593370
  H   -4.80658277324961     -4.40081774912872      0.91215477293230
  H   -1.95039340432283     -5.34485218754384      1.49299715097526
  H   -3.10410470146165     -6.23904371960036      0.45969494088196
  C   1.53195984416969      0.02418377844223      1.58201020348749
  C   0.37285347275968     -0.92697134282974      1.87761347600610
  C   -0.65556532504960     -1.11003769354964      0.74002164221690
  C   -1.31072729713278      0.23667630676690      0.38802440644220
  C   0.06113753032866     -1.62358480878894     -0.52470919383944
  C   -1.72338059128543     -2.21097512601627      1.04893594692391
  C   -2.55048143079130     -2.27662117110464      2.35589324937818
  C   -1.63964598209084     -2.61677837193664      3.55925179816220
  C   -3.29761066180733     -0.95579270083156      2.58857627092278
  C   -7.55201384501414     -2.69079172050980      0.61561692999074
  C   -7.38298265860564     -3.79673228072910      1.65383446043093
  C   -8.63868359436994     -4.16457695776233      2.47008260955735
  C   -9.27516163405896     -2.91032253965082      3.09504395824927
  C   -9.69107117562354     -4.79473130363074      1.53529085606271
  C   -8.33450099484694     -5.25865080456217      3.53178979620835
  C   -7.18535168154876     -5.17411580162025      4.58351827605972
  C   -7.44469839912061     -6.29430949158089      5.62363658271136
  C   -7.30287463876985     -3.86842834760037      5.34912677368843
  C   -0.35825716420208     -2.73608657633834      9.92333345850204
  C   -1.05887171925377     -3.31899248077878      8.69690025449315
  C   -0.42331949611555     -4.59561851195144      8.08873241080417
  C   -0.52754022378537     -5.76774258417640      9.07321836275126
  C   1.06799337321053     -4.33362537553014      7.80562384636510
  C   -1.04492197869648     -4.92075079150198      6.69758643832808
  C   -2.47144774484050     -5.51055457940109      6.47876940863339
  C   -3.55337687553941     -4.71834733916794      7.19592957235760
  C   -2.59895692515882     -6.98254610165065      6.92295722133984
  H   1.18434221607559      1.03745657433986      1.33895946080867
  H   2.18874197777199      0.10825427998017      2.45877923085967
  H   2.15153362852216     -0.32439576276095      0.74513194454858
  H   0.78500554748192     -1.91503512108245      2.14050704256687
  H   -0.15234563650851     -0.56597951045968      2.77394041208378
  H   -2.15243202550455      0.09393463791182     -0.30476826862383
  H   -1.68604610677055      0.76897835305181      1.27042622292057
  H   -0.58751440358487      0.89650946603306     -0.10881434136552
  H   0.63230903638726     -2.54006572128528     -0.31437511067735
  H   0.75492693469379     -0.87448167279008     -0.92653744740246
  H   -0.66693039602029     -1.85322222960270     -1.31664258857139
  H   -2.42901231577371     -2.13455248733436      0.20875195446946
  H   -1.20973975469328     -3.18051454448669      0.94089763850374
  H   -1.32774347656274     -1.73795557920049      4.13751052796852
  H   -0.74058601720141     -3.15713363689263      3.23733757595164
  H   -2.13018416411771     -3.30762102022107      4.27414704887242
  H   -4.08136509688260     -1.07193424168746      3.34557612053151
  H   -2.62072314079199     -0.15862777299463      2.92220316359619
  H   -3.79424740853212     -0.62072744770968      1.66903044714891
  H   -6.61009530965619     -2.53021596510193      0.07243120598602
  H   -8.32067191365830     -2.93006974357128     -0.13211419446511
  H   -7.82790634024800     -1.73346295660482      1.07794296121382
  H   -6.57094262170700     -3.52228729194430      2.34425871168166
  H   -7.03414679312318     -4.71341910227122      1.14836417764763
  H   -9.78091220317827     -2.30908426029570      2.32791593542079
  H   -10.02991310129120     -3.18886120282520      3.84424597002358
  H   -8.54295362974821     -2.25477615974575      3.58509176116604
  H   -10.58820175588085     -5.09023149145389      2.09878183347541
  H   -9.29266354200661     -5.69220923663326      1.03990985953691
  H   -10.01016370669348     -4.08779394833759      0.75805794636925
  H   -8.22361374599821     -6.20992754471110      2.99116587222335
  H   -9.26351430923501     -5.37912968880512      4.11450933656889
  H   -6.58681520897689     -6.38451967812543      6.30465719251097
  H   -7.62606538888570     -7.27149951898735      5.15942635610486
  H   -8.33271288421551     -6.04968153012211      6.22134488081703
  H   -8.33354672863842     -3.78328883455305      5.71880063363251
  H   -6.65025550145864     -3.85776080750237      6.23149391960723
  H   -7.13526541869705     -2.97925928215651      4.73428711000275
  H   -0.25672926853206     -3.47668857564849     10.72878947063596
  H   0.64561461547053     -2.35810294991381      9.69037833778503
  H   -0.93677782808110     -1.89524131830040     10.33012634622380
  H   -1.09937633170717     -2.54961998337632      7.90609700159689
  H   -2.10103107284235     -3.53468471062946      8.96828495501076
  H   -0.19167198122551     -6.70689442577445      8.61193352670363
  H   -1.55393317077237     -5.91383214116807      9.43616555482125
  H   0.10702271358789     -5.59182093663878      9.95228384393690
  H   1.53413336164949     -5.21386360662969      7.34000828253852
  H   1.62012907959508     -4.11619587153998      8.72867624469107
  H   1.19982111382597     -3.48012664913655      7.12325830380726
  H   -0.34558117880462     -5.61422152207645      6.20695153221458
  H   -1.00304997213342     -3.98739231013847      6.11314413254127
  H   -3.53066118815885     -4.93425024700279      8.27035179861914
  H   -3.41562153592273     -3.63940263716639      7.07593047803254
  H   -4.54733492747969     -5.01520742787413      6.82560607206324
  H   -3.53079147803522     -7.41050985019901      6.52721388818899
  H   -1.75922639508428     -7.59976982562348      6.58024892316040
  H   -2.63041194465810     -7.06159961189806      8.01488346330195
  N   -4.66104666167096     -2.63888814340729      5.18611840955133
  H   -5.36447488461027     -2.10489423068844      4.67288052404880
  H   -3.86672733470215     -2.00650124298974      5.32670080370955
  H   -5.04664323390573     -2.84283469450169      6.10775625167136
