74
Coordinates from ORCA-job orca
  N   -1.70299518403531      1.25462331531884      5.22646192366464
  Mo  -3.44996409498287      2.33638768500069      4.84780138367393
  N   -5.01678664900743      2.00010609469622      6.13466699944365
  C   -4.78558434579625      2.06897860996506      7.58254219337053
  C   -3.29297458462878      2.02913632060073      7.87236936186387
  N   -2.58423848604477      2.95600357386325      6.95568485106878
  C   -1.10819141192185      2.77898700690426      6.96277281589769
  C   -0.70166498196163      1.48745310146546      6.25443368922183
  C   -2.90403952005625      4.38666529902047      7.22789001351208
  C   -2.84996163559804      5.15537900209912      5.91989170919389
  N   -3.68959410443060      4.43657684800741      4.96131306455034
  H   0.30610533683388      1.60724094020218      5.82523414048771
  H   -0.67022975368722      0.63388522805374      6.94921442342277
  H   -0.69136332247273      3.63494378815990      6.41639243010907
  H   -0.71828013107647      2.81524649295511      7.99430530291354
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  H   -1.82102959286999      5.20985435999083      5.53009739968141
  H   -3.92237324238621      4.44730506472819      7.62886227409938
  H   -2.21161551505061      4.79092728073356      7.98540055541578
  H   -5.28411876082112      1.22392647336024      8.08367660132032
  H   -5.26039167514287      2.97911068688391      7.98462651471141
  H   -2.89889440108096      1.01909361750571      7.68990444153967
  H   -3.09347482397251      2.28727662945137      8.92787549346532
  C   -2.09072583762919      0.05438699515362      4.80543438158822
  N   -3.32601071783927      0.13904632017514      4.31505809254924
  C   -4.00150338252633     -0.83633374517096      3.60181623726058
  O   -4.88633484154315     -0.52693298985632      2.80399395025260
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  C   -3.68681084852078     -3.16605457370321      2.76253416316089
  C   -3.39475924010622     -4.51350373848125      2.96071099396256
  C   -3.08529822443929     -4.99486125587800      4.23641744317010
  C   -3.07355199115701     -4.10085169281390      5.30609061723699
  Br  -2.68195745400951     -4.74308973555722      7.06157998839324
  C   -3.34428122076887     -2.74632037585758      5.12833418056618
  C   -4.84764216758269      5.01257966107339      4.60120796141644
  N   -5.29618625053026      6.15915814551325      5.06500392430858
  C   -6.46151973927654      6.61972724539471      4.46687270664425
  O   -6.82310363427029      6.34891024364691      3.31414785998315
  C   -7.29659414597019      7.51836933475855      5.33456149165692
  C   -8.48770944740020      8.04747774581208      4.81873103138878
  C   -9.29569631565810      8.86098365870616      5.60923690240906
  C   -8.93461457485244      9.15400727372697      6.92749007922701
  C   -7.75277294528185      8.61155764277261      7.42952184581612
  Br  -7.27083115287870      8.96047357243260      9.25213696449413
  C   -6.92626263653768      7.80411518711391      6.65706340107801
  C   -6.28181713603992      2.22662307269164      5.71847834575172
  N   -7.23988462478098      2.58365166781065      6.53338378017359
  C   -8.48385313589061      2.80735444094290      5.94701762226470
  O   -8.94136096525005      2.17526215693584      4.99141474398462
  C   -9.23967341483909      3.94132844794132      6.57531521416483
  C   -8.85339480241843      4.50537578806189      7.79960836996232
  C   -9.55572376688942      5.58862288912627      8.32461848800409
  C   -10.63509449609831      6.13682523374529      7.62877905047919
  C   -11.00127985005688      5.57089166392250      6.40717083051496
  Br  -12.45044083195642      6.34710161462010      5.42822010783991
  C   -10.33104993397323      4.47681259373766      5.87504009340508
  H   -1.46605115202827     -0.84916953960672      4.85454044761875
  H   -3.94986562683804     -2.78719744968234      1.77473780098304
  H   -3.41173347067219     -5.20641362831993      2.11820192957254
  H   -2.86543178818461     -6.04997497163654      4.39701337142631
  H   -3.35628228618352     -2.07290009426144      5.98485000880714
  H   -5.46320641623794      4.43652763696014      3.89511551581126
  H   -8.76550890846640      7.79919491057927      3.79434324046572
  H   -10.22704734753492      9.26345890356874      5.20802955548561
  H   -9.56659758416582      9.78187638258658      7.55525779034399
  H   -6.00529750001531      7.38417448254766      7.05727108043418
  H   -6.44573710693122      2.15606725851826      4.63313238764442
  H   -7.99712169220693      4.08571388764651      8.32541491585016
  H   -9.25321965534953      6.03191423377919      9.27481923479630
  H   -11.17420142435355      6.99802146801457      8.02171485510175
  H   -10.61603700322756      4.03619849625546      4.92016055503752
  N   -4.01363604044539      2.46658137653582      2.99596859034396
  H   -4.33567791060188      1.66447701825361      2.44680718010107
  H   -4.12335114240252      3.35007206191452      2.49720988047661
