PM7 Accuracy

o-methylbenzoic acid   1157 o-Methylbenzoic acid

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    #  Species Formula
  1147 1,1-Dimethylpropyl acetateC7H14O2
  1148 Ethyl 2-methylbutanoateC7H14O2
  1149 Ethyl 3-methylbutanoateC7H14O2
  1150 Ethyl pentanoateC7H14O2
  1151 Methyl 3,3-dimethylbutanoateC7H14O2
  1152 Methyl hexanoateC7H14O2
  1153 1,3-DiethoxypropaneC7H16O2
  1154 1,7-HeptanediolC7H16O2
  1155 m-Methylbenzoic acidC8H8O2
  1156 Methyl benzoateC8H8O2
  1157 o-Methylbenzoic acid C8H8O2
  1158 p-Methylbenzoic acidC8H8O2
  1159 1,3-Dioxolane-2-phenylC9H10O2
  1160 2,3-Dimethylbenzoic acidC9H10O2
  1161 2,4-Dimethylbenzoic acidC9H10O2
  1162 2,5-Dimethylbenzoic acidC9H10O2
  1163 2,6-Dimethylbenzoic acidC9H10O2
  1164 2-Ethylbenzoic acidC9H10O2
  1165 3,4-Dimethylbenzoic acidC9H10O2
  1166 3,5-Dimethylbenzoic acidC9H10O2
  1167 3-Ethylbenzoic acidC9H10O2


DHf: -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