Accuracy

2,3-dimethylbenzoic acid   1156 2,3-Dimethylbenzoic acid

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    #  Species Formula
  1146 Ethyl pentanoateC7H14O2
  1147 Methyl 3,3-dimethylbutanoateC7H14O2
  1148 Methyl hexanoateC7H14O2
  1149 1,3-DiethoxypropaneC7H16O2
  1150 1,7-HeptanediolC7H16O2
  1151 m-Methylbenzoic acidC8H8O2
  1152 Methyl benzoateC8H8O2
  1153 o-Methylbenzoic acidC8H8O2
  1154 p-Methylbenzoic acidC8H8O2
  1155 1,3-Dioxolane-2-phenylC9H10O2
  1156 2,3-Dimethylbenzoic acid C9H10O2
  1157 2,4-Dimethylbenzoic acidC9H10O2
  1158 2,5-Dimethylbenzoic acidC9H10O2
  1159 2,6-Dimethylbenzoic acidC9H10O2
  1160 2-Ethylbenzoic acidC9H10O2
  1161 3,4-Dimethylbenzoic acidC9H10O2
  1162 3,5-Dimethylbenzoic acidC9H10O2
  1163 3-Ethylbenzoic acidC9H10O2
  1164 4-Ethylbenzoic acidC9H10O2
  1165 Methyl 4-methylbenzoateC9H10O2
  1166 1,2-NaphthalenediolC10H8O2


ΔHf: -82.7 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
2,3-Dimethylbenzoic acid
 H=-82.65 HR=NIST
  C     0.13936080 +1  -0.10158943 +1   0.16087838 +1
  C     1.51081535 +1  -0.00486674 +1  -0.13277053 +1
  C     2.10714025 +1   1.26648208 +1  -0.15816722 +1
  C     1.33100483 +1   2.40244786 +1   0.08470300 +1
  C    -0.03043789 +1   2.29711241 +1   0.35739539 +1
  C    -0.62693632 +1   1.04318468 +1   0.39973448 +1
  C    -0.51168853 +1  -1.41648035 +1   0.22604817 +1
  O    -1.81262233 +1  -1.31309429 +1   0.62533204 +1
  O    -0.06216546 +1  -2.51046338 +1  -0.01121822 +1
  C     2.28772081 +1  -1.24211315 +1  -0.41113103 +1
  C     3.55844040 +1   1.47928581 +1  -0.43609966 +1
  H     1.79743682 +1   3.38765304 +1   0.05939827 +1
  H    -0.62258911 +1   3.19137786 +1   0.53818299 +1
  H    -1.69466663 +1   0.95348594 +1   0.61917361 +1
  H    -2.26826015 +1  -2.18911963 +1   0.67892648 +1
  H     1.84976942 +1  -1.81073331 +1  -1.25192009 +1
  H     3.34025771 +1  -1.06478228 +1  -0.66191310 +1
  H     2.27088721 +1  -1.93221514 +1   0.45073158 +1
  H     4.12032455 +1   0.54757529 +1  -0.58822580 +1
  H     4.04952592 +1   2.00687701 +1   0.39538194 +1
  H     3.70379832 +1   2.08734227 +1  -1.34167186 +1