Accuracy

hexamethylbenzene    323 Hexamethylbenzene

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    #  Species Formula
   313 PentamethylbenzeneC11H16
   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 Hexamethylbenzene C12H18
   324 HexylcyclohexaneC12H24
   325 n-DuodecaneC12H26
   326 Tri-isobutylboraneH27BC12
   327 Tri-s-butylboraneH27BC12
   328 TributylboraneH27BC12
   329 FluoreneC13H10
   330 o-Methyl bipheny (Torsion angle) (Geo)C13H12
   331 Tri-t-butylmethaneC13H28
   332 TridecaneC13H28
   333 AnthraceneC14H10


ΔHf: -18.5 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
Hexamethylbenzene
 H=-18.5 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39506861 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.40770675 +1  120.0011692 +1    0.0000000 +0     2     1     0
  C     1.39494063 +1  119.9934733 +1    0.4339563 +1     3     2     1
  C     1.40743547 +1  120.0099175 +1   -0.3163219 +1     4     3     2
  C     1.40750331 +1  119.9980566 +1   -0.3366197 +1     1     2     3
  C     1.49579888 +1  121.8700817 +1  179.5466523 +1     1     2     3
  C     1.49585022 +1  118.1111494 +1 -179.9039374 +1     6     1     2
  C     1.49583186 +1  118.1331588 +1 -179.8330298 +1     5     4     3
  C     1.49601538 +1  121.8321488 +1  179.7174093 +1     4     3     2
  C     1.49572345 +1  118.1366972 +1 -179.4898060 +1     3     2     1
  C     1.49584200 +1  121.8826041 +1  179.8170964 +1     2     1     6
  H     1.09983684 +1  111.1049247 +1  120.0417708 +1     7     1     2
  H     1.09804029 +1  113.4760513 +1   -0.0303674 +1     7     1     2
  H     1.09986775 +1  111.0548689 +1 -120.0198504 +1     7     1     2
  H     1.09806411 +1  113.4671140 +1  179.1667104 +1     8     6     1
  H     1.09983794 +1  111.1259217 +1   59.1657910 +1     8     6     1
  H     1.09986175 +1  111.0491650 +1  -60.7760100 +1     8     6     1
  H     1.09987029 +1  111.1016903 +1   59.2866522 +1     9     5     4
  H     1.09990812 +1  111.0768174 +1  -60.6718626 +1     9     5     4
  H     1.09808632 +1  113.4571801 +1  179.2775594 +1     9     5     4
  H     1.09984013 +1  111.0328796 +1  118.5622401 +1    10     4     3
  H     1.09804094 +1  113.4606102 +1   -1.5192591 +1    10     4     3
  H     1.09982717 +1  111.1303932 +1 -121.4872751 +1    10     4     3
  H     1.09992463 +1  111.0421495 +1   59.9686895 +1    11     3     2
  H     1.09987518 +1  111.1265192 +1  -59.9685083 +1    11     3     2
  H     1.09810445 +1  113.4704237 +1  179.9607473 +1    11     3     2
  H     1.09988209 +1  111.0246813 +1  118.3438816 +1    12     2     1
  H     1.09803933 +1  113.4646322 +1   -1.7448556 +1    12     2     1
  H     1.09987415 +1  111.1370481 +1 -121.7041848 +1    12     2     1