PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

methyl benzoate   1154 Methyl benzoate

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    #  Species Formula
  1144 1,1-DimethoxycyclopentaneC7H14O2
  1145 1,1-Dimethylpropyl acetateC7H14O2
  1146 Ethyl 2-methylbutanoateC7H14O2
  1147 Ethyl 3-methylbutanoateC7H14O2
  1148 Ethyl pentanoateC7H14O2
  1149 Methyl 3,3-dimethylbutanoateC7H14O2
  1150 Methyl hexanoateC7H14O2
  1151 1,3-DiethoxypropaneC7H16O2
  1152 1,7-HeptanediolC7H16O2
  1153 m-Methylbenzoic acidC8H8O2
  1154 Methyl benzoate C8H8O2
  1155 o-Methylbenzoic acidC8H8O2
  1156 p-Methylbenzoic acidC8H8O2
  1157 1,3-Dioxolane-2-phenylC9H10O2
  1158 2,3-Dimethylbenzoic acidC9H10O2
  1159 2,4-Dimethylbenzoic acidC9H10O2
  1160 2,5-Dimethylbenzoic acidC9H10O2
  1161 2,6-Dimethylbenzoic acidC9H10O2
  1162 2-Ethylbenzoic acidC9H10O2
  1163 3,4-Dimethylbenzoic acidC9H10O2
  1164 3,5-Dimethylbenzoic acidC9H10O2


ΔHf: -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