Accuracy

2,4,6-trimethylbenzoic acid   1175 2,4,6-Trimethylbenzoic acid

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    #  Species Formula
  1165 Methyl 4-methylbenzoateC9H10O2
  1166 1,2-NaphthalenediolC10H8O2
  1167 1,3-NaphthalenediolC10H8O2
  1168 1,4-NaphthalenediolC10H8O2
  1169 2,3-NaphthalenediolC10H8O2
  1170 1-Phenyl-1,3-butanedioneC10H10O2
  1171 2,3,4-Trimethylbenzoic acidC10H12O2
  1172 2,3,5-Trimethylbenzoic acidC10H12O2
  1173 2,3,6-Trimethylbenzoic acidC10H12O2
  1174 2,4,5-Trimethylbenzoic acidC10H12O2
  1175 2,4,6-Trimethylbenzoic acid C10H12O2
  1176 2-Isopropyl benzoic acidC10H12O2
  1177 2-Methyl-2-phenyl-1,3-dioxolaneC10H12O2
  1178 3,4,5-Trimethylbenzoic acidC10H12O2
  1179 3-Isopropyl benzoic acidC10H12O2
  1180 4-Isopropyl benzoic acidC10H12O2
  1181 2-Isopropyl-6-methyl-pyrocatecholC10H14O2
  1182 Cyclohexyl butanoateC10H18O2
  1183 Ethyl octanoateC10H20O2
  1184 1,10-DecanediolC10H22O2
  1185 1-Naphthoic acidC11H8O2


ΔHf: -89.4 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
2,4,6-Trimethylbenzoic acid
 H=-89.44 HR=NIST
  C    -0.02882615 +1   0.01840066 +1  -0.01902352 +1
  C     1.37165556 +1   0.00983018 +1  -0.02370763 +1
  C     2.06327845 +1   1.22239486 +1   0.00082777 +1
  C     1.36594845 +1   2.43054583 +1   0.02389359 +1
  C    -0.03101843 +1   2.43254672 +1   0.02750965 +1
  C    -0.73533478 +1   1.23030641 +1   0.00742368 +1
  C    -0.78818511 +1  -1.23794898 +1  -0.01511358 +1
  O    -0.45606062 +1  -2.02996328 +1  -1.07392012 +1
  O    -1.62700997 +1  -1.61295770 +1   0.76437342 +1
  C     2.12810714 +1  -1.27331927 +1  -0.04082188 +1
  C    -2.22445252 +1   1.24308093 +1   0.00719714 +1
  C     2.10164147 +1   3.72700791 +1   0.03815867 +1
  H     3.15007094 +1   1.22354152 +1   0.00034819 +1
  H    -0.57029022 +1   3.37610657 +1   0.04646540 +1
  H    -0.97492693 +1  -2.87076947 +1  -1.10607234 +1
  H     1.88232972 +1  -1.86522474 +1  -0.94048049 +1
  H     1.88273764 +1  -1.90006767 +1   0.82996231 +1
  H     3.21679000 +1  -1.13057580 +1  -0.03851691 +1
  H    -2.62972778 +1   0.65604150 +1   0.85171864 +1
  H    -2.63168309 +1   0.79721774 +1  -0.91298408 +1
  H    -2.64488575 +1   2.25395092 +1   0.08971508 +1
  H     1.89940186 +1   4.30528528 +1  -0.87653986 +1
  H     3.19008720 +1   3.60012763 +1   0.10394694 +1
  H     1.80073756 +1   4.35328903 +1   0.89148752 +1