Accuracy

o-methylbenzoic acid   1153 o-Methylbenzoic acid

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    #  Species Formula
  1143 1,1-Dimethylpropyl acetateC7H14O2
  1144 Ethyl 2-methylbutanoateC7H14O2
  1145 Ethyl 3-methylbutanoateC7H14O2
  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 acid C8H8O2
  1154 p-Methylbenzoic acidC8H8O2
  1155 1,3-Dioxolane-2-phenylC9H10O2
  1156 2,3-Dimethylbenzoic acidC9H10O2
  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


ΔHf: -76.6 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
o-Methylbenzoic acid
 H=-76.63 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.40323165 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.38791869 +1  120.4836717 +1    0.0000000 +0     2     1     0
  C     1.39642065 +1  119.5227785 +1   -0.2075951 +1     3     2     1
  C     1.38934611 +1  120.2600669 +1    0.1881004 +1     4     3     2
  C     1.40036756 +1  120.1506319 +1    0.0375396 +1     1     2     3
  C     1.46793487 +1  115.1823017 +1  179.9733683 +1     1     2     3
  O     1.36126570 +1  114.0639876 +1 -176.8865779 +1     7     1     2
  O     1.20774366 +1  126.9251073 +1    2.8330759 +1     7     1     2
  C     1.48628074 +1  122.4207717 +1 -179.6670744 +1     6     1     2
  H     1.09546889 +1  119.3215337 +1  179.9826850 +1     2     1     6
  H     1.08763511 +1  120.3071609 +1  179.8089054 +1     3     2     1
  H     1.09009902 +1  119.8034415 +1 -179.8456180 +1     4     3     2
  H     1.08837175 +1  119.6888752 +1 -179.9951677 +1     5     4     3
  H     0.99119981 +1  112.5075363 +1  179.7381764 +1     8     7     1
  H     1.09718052 +1  113.3619204 +1  176.6435775 +1    10     6     1
  H     1.10401939 +1  111.5674017 +1   55.6428094 +1    10     6     1
  H     1.10421173 +1  111.2375572 +1  -62.4085903 +1    10     6     1