114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668100-uhdt/orca
  N   -2.58238227681852     -3.56337429626792      2.57725494805730
  C   -1.84313342404424     -4.56732281171915      1.78858266957238
  C   -2.17062984071849     -5.97581159831562      2.25374523847027
  N   -3.60566969883522     -6.03312212384300      2.61008189816484
  C   -4.49205092593565     -5.88759106378135      1.43890329141051
  C   -5.87267356776890     -5.47535228661300      1.90773469005630
  N   -5.80666864330294     -4.54105084548473      3.04804564221924
  Mo  -3.95898904604312     -4.29285984853146      3.83824675447457
  N   -3.20583797322860     -5.57429091049183      5.18857418317504
  C   -3.28245974221425     -6.99678357418973      4.82666880725590
  C   -3.96248638601691     -7.17655236038413      3.47797888031301
  H   -3.84479088140785     -7.58030179560821      5.57817685506008
  H   -2.27513007712854     -7.44373699659862      4.78324235269707
  H   -5.05429929505306     -7.16735642066513      3.58903380380151
  H   -3.66987560517822     -8.13189967218158      3.00963310362204
  H   -6.38197732876667     -5.01539425366538      1.04565310059068
  H   -6.46736859902018     -6.37041820035196      2.16588634379191
  H   -4.06183922555921     -5.10324439758059      0.80470281610409
  H   -4.53013617793205     -6.82304218717760      0.85452527898260
  H   -0.75268989131090     -4.43405676615662      1.88257149578039
  H   -2.07268036271926     -4.45930086336643      0.71382863348313
  H   -1.59979466098321     -6.21522972143224      3.15843400213894
  H   -1.92678144408018     -6.72309247794900      1.47959195704478
  C   -2.48310505182723     -2.19462101987231      1.96984358810407
  C   -1.02652917736250     -1.89171560265701      1.54827882346092
  C   0.02558177240058     -2.00808306197636      2.65060991952022
  C   1.44542658247779     -1.89766009942788      2.09137587452251
  C   2.53036125028448     -2.33879968964417      3.05404323948417
  Cl  2.46715576798858     -4.13267749936412      3.34042510239143
  C   -2.96513501882078     -1.13769434428075      2.97387120351454
  C   -3.07888766313059      0.27333537453519      2.38921437132680
  C   -4.00609897207097      0.29011518754260      1.17177380806411
  C   -3.56099186843259     -0.73314466794204      0.12552187849533
  C   -3.42294905909008     -2.13101766654151      0.73705345734015
  C   -7.18941466329980     -4.27538901343171      3.58067101220265
  C   -7.67066514052979     -5.48315713947022      4.42716683725938
  C   -6.88912782053241     -5.73204770409903      5.71410524794651
  C   -7.10214763819457     -7.12178144582030      6.32500342417434
  C   -8.52932910898721     -7.33969496573469      6.79560275145928
  Cl  -8.71270822418347     -8.94755707955284      7.59842291471846
  C   -7.24291229059429     -2.99654958822020      4.43233551612326
  C   -6.94102440762038     -1.72500433596784      3.63590268366275
  C   -7.90434844984812     -1.55582666194776      2.45933833502886
  C   -7.91404445640701     -2.81510466161618      1.59032412336535
  C   -8.21344222197419     -4.05340287056515      2.43518060281962
  C   -2.60607749860226     -5.32330027036881      6.55079003817543
  C   -3.76602706786030     -5.38136739358026      7.57326942794083
  C   -3.43391420303954     -5.09989123720345      9.03770271035165
  C   -4.68608236394399     -5.12288359353898      9.91435455472061
  C   -4.41460829937752     -4.89803543585680     11.39054736527106
  Cl  -3.41994831907911     -6.23316511993160     12.10563272392007
  C   -1.54461016110789     -6.39012747125443      6.91228570855384
  C   -0.25099927624224     -6.20199267693890      6.12172158919551
  C   0.45600741679867     -4.89384312304487      6.54265174069605
  C   -0.51885933499014     -3.92930326453673      7.23218291467718
  C   -1.89388275863018     -3.93325520153516      6.55940091752321
  H   -0.74910329244763     -2.55517585211963      0.71375079893886
  H   -0.99638938985095     -0.87791318738912      1.12403005999225
  H   -0.08592719353108     -2.97092357489477      3.17350463110061
  H   -0.12290814145704     -1.22772122326262      3.41497187510683
  H   1.53326006216979     -2.49185748190338      1.16724471796287
  H   1.65974729962720     -0.85204338400533      1.80904803600632
  H   2.43013536178839     -1.87381362286958      4.04310354969540
  H   3.53392118809880     -2.14195167446582      2.66104545580289
  H   -3.97306567125991     -1.43264228605820      3.29759733588208
  H   -2.31145919891522     -1.14072725372111      3.86053790835227
  H   -2.08394095940346      0.65551752426839      2.10849352027105
  H   -3.45834471836427      0.95458674080944      3.16666035722134
  H   -4.04552519055763      1.29851304895191      0.73313434763825
  H   -5.03313596431137      0.04774463840012      1.49965814781354
  H   -2.60317323961915     -0.41620339354890     -0.31850368889039
  H   -4.28472548592154     -0.77127531214247     -0.70329330722851
  H   -3.07984630949205     -2.84093864738141     -0.03184679225111
  H   -4.41674116050733     -2.47630329871152      1.07412843148658
  H   -8.73676024386322     -5.32190446719400      4.65444029892234
  H   -7.63564937487945     -6.39027402213556      3.79969532498028
  H   -7.13764920263807     -4.96733736165146      6.46914594282128
  H   -5.81121198168664     -5.62132547262353      5.50702358528227
  H   -6.42413330963541     -7.25280419616610      7.18255822775611
  H   -6.84082530050680     -7.89935288365183      5.58838754635712
  H   -9.24936736515149     -7.33076331488815      5.96887073363907
  H   -8.82769319553210     -6.58784808939199      7.53792418351638
  H   -6.59705947988975     -3.10047714201747      5.31245609242096
  H   -8.26666343309900     -2.92800016315028      4.83633801037918
  H   -6.98222420252072     -0.84266402926877      4.29587005759915
  H   -5.92008327969161     -1.77891930940281      3.22094834993539
  H   -7.62413003985867     -0.67433174944093      1.86237533822621
  H   -8.92191797901075     -1.36988293385107      2.84412866658080
  H   -6.93210267623868     -2.92433919743120      1.09778543280533
  H   -8.66106475870180     -2.72079648105578      0.78768477192563
  H   -8.31193451221558     -4.95255702771572      1.81158278261449
  H   -9.19460062118007     -3.92115350328004      2.92051829073187
  H   -4.54548687873516     -4.67235258671490      7.24519386599630
  H   -4.23427713937798     -6.37791275464842      7.50121501589185
  H   -2.72571503428025     -5.84782183980801      9.42288801128534
  H   -2.94046345535293     -4.11849179387642      9.13935514326456
  H   -5.21997894012621     -6.07870974667549      9.78547509353964
  H   -5.38344961460248     -4.32771171344274      9.59265178992811
  H   -3.84866959993254     -3.97429902802628     11.56707757453780
  H   -5.34161822180784     -4.87105251716524     11.97437400281573
  H   -1.95449926616355     -7.40217891353646      6.80600557689894
  H   -1.32072813218959     -6.28677907309461      7.98354651618234
  H   -0.48473230076022     -6.16843109485359      5.04478387647277
  H   0.41344602142745     -7.06572783383181      6.26528063069287
  H   1.28968611948626     -5.11482126842062      7.22566954646279
  H   0.89983092865044     -4.41079797050168      5.65991862513707
  H   -0.11295026213897     -2.90618321263592      7.21985712195583
  H   -0.63007598668044     -4.19590128503472      8.29473014189129
  H   -2.52803743958940     -3.19048305991008      7.06651790248617
  H   -1.76287510946459     -3.60522499345533      5.51339382173261
  N   -4.28986161386256     -2.59576629894008      5.33195320847367
  H   -4.99099062081663     -1.90697870632465      5.04599891424405
  H   -3.41773550368770     -2.08384745788466      5.48696757167863
  H   -4.58052718984518     -2.95454845065765      6.24633187475941
