PM7 Accuracy

methyl 4-methylbenzoate   1169 Methyl 4-methylbenzoate

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    #  Species Formula
  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
  1168 4-Ethylbenzoic acidC9H10O2
  1169 Methyl 4-methylbenzoate C9H10O2
  1170 1,2-NaphthalenediolC10H8O2
  1171 1,3-NaphthalenediolC10H8O2
  1172 1,4-NaphthalenediolC10H8O2
  1173 2,3-NaphthalenediolC10H8O2
  1174 1-Phenyl-1,3-butanedioneC10H10O2
  1175 2,3,4-Trimethylbenzoic acidC10H12O2
  1176 2,3,5-Trimethylbenzoic acidC10H12O2
  1177 2,3,6-Trimethylbenzoic acidC10H12O2
  1178 2,4,5-Trimethylbenzoic acidC10H12O2
  1179 2,4,6-Trimethylbenzoic acidC10H12O2


DHf: -74.7 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
Methyl 4-methylbenzoate
 H=-74.71 HR=NIST
  C     0.00866207  1  -0.00757636  1   0.03026732  1
  C     1.40417759  1   0.00551087  1   0.00871919  1
  C     2.08351817  1   1.22018221  1   0.00344656  1
  C     1.37161771  1   2.42287587  1   0.02007320  1
  C    -0.02757884  1   2.40420940  1   0.04202318  1
  C    -0.70852974  1   1.19278428  1   0.04722534  1
  C    -0.75293189  1  -1.26561761  1   0.03605087  1
  O     0.08307798  1  -2.34020490  1   0.02267697  1
  O    -1.95224554  1  -1.39235896  1   0.05023655  1
  C     2.09119129  1   3.72745027  1   0.01376263  1
  C    -0.54628388  1  -3.61663734  1   0.02599573  1
  H     1.96276885  1  -0.93350775  1  -0.00428001  1
  H     3.17091170  1   1.22975228  1  -0.01347848  1
  H    -0.58259318  1   3.33984667  1   0.05513533  1
  H    -1.80205032  1   1.16887651  1   0.06412998  1
  H     1.81723343  1   4.33195744  1  -0.86416501  1
  H     3.18359054  1   3.61501801  1  -0.00427978  1
  H     1.84591836  1   4.32476796  1   0.90533281  1
  H    -1.16727287  1  -3.73448725  1  -0.86887802  1
  H     0.30446453  1  -4.30789870  1   0.01806882  1
  H    -1.15347486  1  -3.73777168  1   0.92934585  1