PM7 Accuracy

5,6-dimethyl chrysene    398 5,6-Dimethyl chrysene

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    #  Species Formula
   388 OctadecaneC18H38
   389 TriphenylboraneH15BC18
   390 TricyclohexylboraneH33BC18
   391 Tri-n-hexylboraneH39BC18
   392 2,6-Diphenyl-1,6-heptadieneC19H20
   393 n-TetradecylcyclopentaneC19H38
   394 n-TridecylcyclohexaneC19H38
   395 NonadecaneC19H40
   396 9,10-Dihydro-9,10[1',2']benzanthraceneC20H14
   397 3,9-Dimethylbenz[a]anthraceneC20H16
   398 5,6-Dimethyl chrysene C20H16
   399 9,10-Dimethyl-1,2-benzanthraceneC20H16
   400 1,3,5-Tri-tert-butyl pentaleneC20H30
   401 HexacyclopropylethaneC20H30
   402 Tetra-tert-butyltetrahedraneC20H36
   403 Meso-3,4-dicyclohexyl-2,5-dimethylhexaneC20H38
   404 TetradecylcyclohexaneC20H40
   405 EicosaneC20H42
   406 1,8-ParacyclophaneC21H26
   407 HexadecylcyclopentaneC21H42
   408 PentadecylcyclohexaneC21H42


DHf: 62.7 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 INT PM7
5,6-Dimethyl chrysene
 H=62.7 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.41024907  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.44443597  1  119.2153040  1    0.0000000  0     1     2     0
  C     1.41655895  1  117.7894202  1 -176.0659576  1     1     2     3
  C     1.43055511  1  119.4047077  1    7.5247851  1     2     1     3
  C     1.41550861  1  120.1379943  1 -175.5856500  1     2     1     3
  C     1.35989923  1  120.0362452  1    4.8769903  1     5     2     1
  C     1.39769977  1  118.1795247  1  -18.3474949  1     3     1     2
  C     1.43996412  1  119.7379826  1 -163.7967427  1     8     3     1
  C     1.43971205  1  123.2845413  1  160.2729820  1     3     1     2
  C     1.40914845  1  119.2862658  1   -5.9315696  1     9     8     3
  C     1.41630596  1  121.6513608  1  171.5464359  1     9     8     3
  C     1.37129254  1  120.1596896  1  164.0376959  1    10     3     1
  C     1.41688066  1  119.0197991  1  175.9431507  1    11     9     8
  C     1.49431506  1  122.0093019  1 -175.8068298  1    13    10     3
  C     1.49496105  1  119.5238865  1  -22.0011791  1    10     3     1
  C     1.37581198  1  121.0094877  1 -176.5004831  1    12     9     8
  C     1.37584610  1  120.9737927  1    1.1617259  1    14    11     9
  C     1.37669002  1  121.1252545  1   -6.7199127  1     4     1     2
  C     1.37539957  1  120.3901675  1   -4.2338353  1     6     2     1
  H     1.08943513  1  119.2854292  1  170.4626352  1     4     1     2
  H     1.08801310  1  118.5537743  1 -177.4118481  1     5     2     1
  H     1.08831040  1  118.9644961  1  176.6928025  1     6     2     1
  H     1.09021700  1  120.2164733  1  175.8305247  1     7     5     2
  H     1.08972241  1  119.4673277  1    2.5742182  1    12     9     8
  H     1.08840771  1  119.4758329  1 -178.5733973  1    14    11     9
  H     1.10018053  1  111.2817047  1 -122.6556068  1    15    13    10
  H     1.09679272  1  113.7938072  1   -2.1138398  1    15    13    10
  H     1.10108238  1  110.6896354  1  117.3270275  1    15    13    10
  H     1.10171329  1  111.1940536  1 -134.3293532  1    16    10     3
  H     1.10068546  1  112.4029110  1  -16.8044303  1    16    10     3
  H     1.09843115  1  112.1376783  1  105.3576589  1    16    10     3
  H     1.08784705  1  120.6418522  1  179.6708851  1    17    12     9
  H     1.08777638  1  120.6271533  1 -179.8799751  1    18    14    11
  H     1.08803207  1  120.4669242  1 -179.9219093  1    19     4     1
  H     1.08757084  1  120.8700166  1  179.6691415  1    20     6     2