Accuracy

pentamethylbenzene    313 Pentamethylbenzene

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


ΔHf: -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