PM7 Accuracy

methyl benzoate   1156 Methyl benzoate

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    #  Species Formula
  1146 1,1-DimethoxycyclopentaneC7H14O2
  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 benzoate C8H8O2
  1157 o-Methylbenzoic acidC8H8O2
  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


DHf: -66.8 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
Methyl benzoate
 H=-66.84 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39736356  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39209831  1  119.6281137  1    0.0000000  0     2     1     0
  C     1.39439807  1  119.9330705  1    0.0166591  1     3     2     1
  C     1.39448654  1  120.3008045  1   -0.0116017  1     4     3     2
  C     1.39565747  1  120.5800657  1   -0.0139840  1     1     2     3
  C     1.47316764  1  117.7401336  1  179.9655195  1     1     2     3
  O     1.36071516  1  111.0085761  1  178.6633685  1     7     1     2
  O     1.20589074  1  127.0818534  1   -1.2923581  1     7     1     2
  C     1.42424371  1  115.7156916  1  179.9312338  1     8     7     1
  H     1.09355420  1  119.7227897  1 -179.9753795  1     2     1     6
  H     1.08840741  1  119.9519931  1 -179.9841009  1     3     2     1
  H     1.08948550  1  119.8736608  1  179.9940336  1     4     3     2
  H     1.08832959  1  120.0646666  1  179.9914396  1     5     4     3
  H     1.09193531  1  120.2735994  1  179.9954257  1     6     1     2
  H     1.09541814  1  110.2063198  1   60.9852418  1    10     8     7
  H     1.09592486  1  102.9294560  1  179.9786350  1    10     8     7
  H     1.09538006  1  110.2010677  1  -61.0261096  1    10     8     7