71
Coordinates from ORCA-job orca
  N   -3.29757163481411     -4.10402130565896      1.74254353004251
  C   -3.79130902044788     -4.97965198525900      0.68882026308835
  C   -3.99520528549195     -6.37391151257981      1.27858479580757
  N   -3.12249758755675     -6.50981305898203      2.47232084543383
  C   -3.41229569699867     -7.77270777457059      3.21497293050899
  C   -4.38500163240228     -7.50436399413435      4.37000966201625
  N   -4.90010398640346     -6.15651801859448      4.21772658648995
  Mo  -3.60990249964335     -4.66607227724314      3.70547967338100
  N   -1.77214287833389     -5.33109252159588      4.29413411442818
  C   -0.89504509373205     -6.07627039887956      3.39292685946027
  C   -1.67575428437484     -6.42570571481143      2.13072777924824
  H   -0.53715623948121     -6.98313295586264      3.90965169395963
  H   -0.00504666857839     -5.48365475403825      3.12409262292941
  H   -1.33966259864962     -7.38255657805816      1.69962798169725
  H   -1.54417413453915     -5.64783634344946      1.37420518361191
  H   -5.20399217461426     -8.23847374234071      4.35962412357317
  H   -3.86545512469434     -7.59924281541705      5.33804498787020
  H   -3.82285481876562     -8.50229665186952      2.50220333084784
  H   -2.46758987343734     -8.17709275910198      3.59488383831189
  H   -3.06624393613831     -5.02388493879044     -0.13874431136315
  H   -4.73628390683729     -4.58419084756117      0.28232920384890
  H   -3.76042284806590     -7.16318766492685      0.54431078057431
  H   -5.02549182547390     -6.51589167573088      1.62702819726513
  C   -2.67175988849157     -2.95597293501636      1.39661735283088
  C   -2.37393997977163     -2.52718736859710      0.07593833326987
  C   -1.80374427517179     -1.28745577319529     -0.12624945196184
  C   -1.54585129023803     -0.41138367349721      0.95662311599430
  C   -1.80456478474978     -0.81300971225521      2.24795795535684
  C   -2.31200201329491     -2.11112918095530      2.49241348852218
  N   -2.60794091162362     -2.61570152917526      3.73056771737535
  C   -2.06580101074955     -2.10158720817618      4.83917504872432
  C   -0.74697986300091     -1.56803090912463      5.05463009880850
  O   -0.37238457381895     -0.92893355173267      6.00809843066614
  Cl  0.53904816625614     -2.16782267741797      3.85129710187116
  C   -6.13937495098148     -5.83640272164613      4.68264249785303
  C   -7.03700911588161     -6.68151676171304      5.37134516449300
  C   -8.28557517037914     -6.19753771229367      5.73330030457380
  C   -8.66994288142867     -4.88116199761222      5.41472242373346
  C   -7.79455153341252     -4.02815997307082      4.75693991707767
  C   -6.51161721683944     -4.48777915368760      4.40730382064969
  N   -5.54175358582672     -3.76063121190372      3.73874909088232
  C   -5.74003558624707     -2.40559393294039      3.60538139426977
  C   -5.51047058321354     -1.73526367230283      2.38882678923070
  O   -5.30845740417006     -2.14726924252185      1.26279308747649
  Cl  -5.63046674009157      0.11481237982212      2.64587290712958
  C   -1.32699511299876     -5.08808293576451      5.55755893802300
  C   -0.01431639781988     -5.31917374785412      6.03123620601659
  C   0.31691965656811     -4.96269947092437      7.32626793042456
  C   -0.63983570647513     -4.36230098907714      8.17409185884878
  C   -1.93392096539559     -4.14794103254767      7.73928865450519
  C   -2.31029640051055     -4.53741112776701      6.43510768220097
  N   -3.55737584165270     -4.36254591001862      5.87996018422615
  C   -4.64608625521010     -4.11349658446835      6.65612777157203
  C   -4.92535074965170     -4.80923945510935      7.87081824547292
  O   -4.35937006334228     -5.73302907210948      8.41390946898782
  Cl  -6.48365190513123     -4.13765654642371      8.62701268780835
  H   -2.63837859651988     -3.14590433475752     -0.77940575095260
  H   -1.59728321142700     -0.95462772138940     -1.14476703478205
  H   -1.17466861853571      0.59515117017226      0.76311661567489
  H   -1.65645250615990     -0.13215623996608      3.08548046746271
  H   -2.63998462789272     -2.17983257318089      5.76016617692646
  H   -6.74778511686295     -7.69676813362447      5.64023309163369
  H   -8.97552484939457     -6.84563901379976      6.27513449786351
  H   -9.66372979387044     -4.52608425075408      5.68972664576901
  H   -8.09794677789955     -3.01487191043335      4.49405541364014
  H   -6.19342768224914     -1.84969900712418      4.42767581385715
  H   0.74372589124471     -5.73213882815606      5.36725549558510
  H   1.33660599617253     -5.11227422290590      7.68321159121491
  H   -0.34956174106143     -4.04397837272862      9.17585715553942
  H   -2.66136952754164     -3.65691322468708      8.38371072705826
  H   -5.42659115378113     -3.47198765613036      6.26142020356376
