PM7 Accuracy

pentamethylbenzene    315 Pentamethylbenzene

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    #  Species Formula
   305 Spiro(4-5)decaneC10H18
   306 trans-DecalinC10H18
   307 (E)-2,2,5,5-Tetramethyl-3-hexeneC10H20
   308 (Z)-2,2,5,5-Tetramethyl-3-hexeneC10H20
   309 1-DeceneC10H20
   310 Butyl cyclohexaneC10H20
   311 Pentyl cyclopentaneC10H20
   312 2,2,5,5-TetramethylhexaneC10H22
   313 3,3,4,4-TetramethylhexaneC10H22
   314 n-DecaneC10H22
   315 Pentamethylbenzene C11H16
   316 1,1,4-TrimethylcycloheptaneC11H22
   317 Hexyl cyclopentaneC11H22
   318 Pentyl cyclohexaneC11H22
   319 UndecaneC11H24
   320 AcenaphthyleneC12H8
   321 BiphenyleneC12H8
   322 AcenaphtheneC12H10
   323 BiphenylC12H10
   324 Biphenyl, for torsion (Torsion angle) (Geo)C12H10
   325 HexamethylbenzeneC12H18


DHf: -16.1 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.
  
 PM7
Pentamethylbenzene
 H=-16.1 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39752166  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.40908867  1  120.4424388  1    0.0000000  0     2     1     0
  C     1.39590549  1  119.7487800  1    0.0839556  1     3     2     1
  C     1.39844507  1  119.5364366  1   -0.1181286  1     4     3     2
  C     1.38929135  1  120.9312569  1    0.0835620  1     5     4     3
  C     1.49374044  1  119.1465260  1  179.9118225  1     6     5     4
  C     1.49431677  1  122.5964089  1  179.9438449  1     1     2     3
  C     1.49569318  1  121.5336711  1 -179.9183059  1     2     1     3
  C     1.49464092  1  118.6813211  1  179.9876973  1     3     2     4
  C     1.49455195  1  123.6542142  1 -179.9565256  1     4     3     5
  H     1.08783338  1  119.2851284  1  179.9234267  1     5     4     6
  H     1.09975649  1  111.2619553  1  120.9138070  1     7     6     5
  H     1.09981601  1  111.2105865  1  119.7606724  1     7     6    13
  H     1.09785528  1  112.5771656  1  120.1136942  1     7     6    14
  H     1.09995452  1  111.0539932  1  120.8779008  1     8     1     2
  H     1.10003931  1  110.9893013  1  119.7182719  1     8     1    16
  H     1.09788117  1  113.5483761  1  120.0977491  1     8     1    17
  H     1.09998369  1  111.1200872  1 -121.3283582  1     9     2     1
  H     1.10008296  1  111.0038199  1 -119.8443499  1     9     2    19
  H     1.09800179  1  113.5008353  1 -120.0569622  1     9     2    20
  H     1.09983337  1  111.1796723  1   59.3431466  1    10     3     2
  H     1.09991919  1  111.1468868  1 -119.9832012  1    10     3    22
  H     1.09808289  1  113.2812370  1 -119.9867952  1    10     3    23
  H     1.09983968  1  110.9137561  1 -119.6684347  1    11     4     3
  H     1.09987017  1  110.9283310  1 -119.4521268  1    11     4    25
  H     1.09760443  1  113.5469835  1 -120.2236032  1    11     4    26