87
Coordinates from ORCA-job orca
  N   -3.03535894737536      1.69412077801963      5.48198217591621
  Mo  -4.56712385494176      2.64575834896985      6.32434768454882
  N   -5.44394460222645      1.67476179944199      7.81901165256430
  C   -4.85662969360230      1.68822089891576      9.16317284332478
  C   -3.33443454486312      1.64158965265092      9.08315195446107
  N   -2.84879260350232      2.64280950701074      8.12297974828558
  C   -1.61932928131904      2.26441652122396      7.41354683119366
  C   -1.92167943328497      1.24588692419140      6.31799851602974
  C   -2.85767954416341      4.01852419406511      8.63419005316696
  C   -3.10262499317961      5.00507357816715      7.49813712401718
  N   -4.23447901894841      4.58108263275479      6.67331624940548
  H   -1.01325231789739      1.12481067773221      5.69918646799772
  H   -2.13766219025562      0.25259921039170      6.75844070833845
  H   -1.21502492556700      3.17219275686184      6.94325604342223
  H   -0.85042367820330      1.87025550411646      8.10586404990575
  H   -3.31054459497961      6.00015388150361      7.93465572509240
  H   -2.19478842303168      5.11836803732539      6.87707578687617
  H   -3.68500746920812      4.09460813827946      9.35415335142282
  H   -1.92097947008547      4.26701070413299      9.17024559011695
  H   -5.19640627654302      0.81513130755422      9.73870963610801
  H   -5.19103387847599      2.59038103037311      9.71276189496876
  H   -3.04641423943458      0.64913767260168      8.71030921169126
  H   -2.87927628625305      1.77949969639563     10.08351606900397
  C   -0.66147188341252     -3.84213269722645      0.06288949988758
  C   -0.86390638654005     -2.78945554212139      1.12895295769687
  O   0.08500941918925     -2.14752684826978      1.57139947228456
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  C   -3.36654997772635     -3.25150576931656      1.15948236876570
  C   -4.63721827765827     -2.99041697473570      1.66514954641940
  C   -4.78273972374064     -2.03224981276541      2.66053234261776
  F   -6.02508416604420     -1.77779365809635      3.11271111107815
  C   -3.69292168646169     -1.30578530324462      3.17351248007579
  C   -3.85961499665952     -0.34777754296603      4.31388366347229
  O   -4.58946408090142     -0.61762218064159      5.25332570803940
  C   -3.12163217003339      0.99278498060524      4.22683172474903
  C   -2.43496571427875     -1.57471731679450      2.62895909764242
  C   -2.94845734431123     10.13527321149084     -0.06464719262078
  C   -2.63837339663829      9.00892206221381      0.89579826821714
  O   -1.56808355176754      8.41199982119982      0.84474165473345
  C   -3.67204307894896      8.63852433348156      1.91567420964920
  C   -4.90155456967643      9.31241446683638      2.02393137281453
  C   -5.82553860608778      8.93732955059361      2.99224200354112
  C   -5.51600277911127      7.88848863099858      3.85287749773802
  F   -6.45000767146548      7.56541084366888      4.77844465119381
  C   -4.30605557531011      7.17896509454730      3.78311970170443
  C   -3.89387383526419      6.02410622101724      4.66358761369451
  O   -2.86329570161411      5.41619038258109      4.41169287518559
  C   -4.77141883109180      5.64148726849918      5.85628450914346
  C   -3.40186542662586      7.58496926301677      2.79285513665451
  C   -7.92991315711678     -5.42037812481195      3.85573710896707
  C   -7.04203141458217     -4.53877153318959      4.70727090422140
  O   -5.82930392274012     -4.72621627499097      4.75138536016965
  C   -7.67620798291163     -3.42348907726022      5.47505709302666
  C   -9.05215068225043     -3.14498528638880      5.39910301658603
  C   -9.59373917318264     -2.06100337908523      6.08329668900881
  C   -8.74446825130724     -1.24643301373261      6.82371811868644
  F   -9.29506079149810     -0.19124480605841      7.47477423529654
  C   -7.37075439088434     -1.49138034944230      6.94150869810081
  C   -6.39677462678983     -0.61868667643170      7.68175531131912
  O   -5.40939797018091     -1.11630343164802      8.20102990433107
  C   -6.65192719277178      0.89454781848367      7.68692767157353
  C   -6.86144913828909     -2.60374785102326      6.26415246961606
  H   0.40097145355887     -3.88858973144561     -0.19790837455470
  H   -0.99601761277180     -4.82783983212023      0.42062174515236
  H   -1.25122506312871     -3.60717405157827     -0.83620043670773
  H   -3.25257665143261     -4.01153531562402      0.38643155005597
  H   -5.51840296634587     -3.52089934007343      1.30428601772564
  H   -3.70433369349221      1.58525664565698      3.49895500563212
  H   -2.12382826803544      0.84615029170835      3.77465952412835
  H   -1.55081277731896     -1.05126345540564      2.99475258061324
  H   -3.13654255640731     11.07275377601201      0.48088733154571
  H   -3.85452316320266      9.91403515331204     -0.64920807253224
  H   -2.09932872137337     10.27149809064628     -0.74240333322080
  H   -5.14437073944883     10.13562404447336      1.35183913143515
  H   -6.78625434953293      9.44203464586495      3.09575146423091
  H   -4.94444681975219      6.55967572118734      6.45358742729733
  H   -5.75232004660117      5.34407233406195      5.45516678840536
  H   -2.45408298973304      7.05071309454202      2.71286568216749
  H   -8.72092992086181     -5.88771795500203      4.46115234222455
  H   -7.31787425825088     -6.19798448457294      3.38677344687580
  H   -8.42899497560189     -4.82518614769816      3.07545739446775
  H   -9.71220849448552     -3.77083385055401      4.79840411721670
  H   -10.65863171957628     -1.83097027219602      6.04607221111358
  H   -7.36947486526230      1.09454441052617      8.51011214631836
  H   -7.16147161506258      1.16791185377974      6.75287672540751
  H   -5.79242556045690     -2.80474794995263      6.32069162514953
  N   -5.72659865720563      2.66666951777947      5.11458986597257
