PM7 Accuracy

hexamethylbenzene    325 Hexamethylbenzene

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


DHf: -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