PM7 Accuracy

3,4,5-trimethylbenzoic acid   1182 3,4,5-Trimethylbenzoic acid

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    #  Species Formula
  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
  1180 2-Isopropyl benzoic acidC10H12O2
  1181 2-Methyl-2-phenyl-1,3-dioxolaneC10H12O2
  1182 3,4,5-Trimethylbenzoic acid C10H12O2
  1183 3-Isopropyl benzoic acidC10H12O2
  1184 4-Isopropyl benzoic acidC10H12O2
  1185 2-Isopropyl-6-methyl-pyrocatecholC10H14O2
  1186 Cyclohexyl butanoateC10H18O2
  1187 Ethyl octanoateC10H20O2
  1188 1,10-DecanediolC10H22O2
  1189 1-Naphthoic acidC11H8O2
  1190 Isonaphthoic acidC11H8O2
  1191 2,3,4,5-Tetramethylbenzoic acidC11H14O2
  1192 2,3,4,6-Tetramethylbenzoic acidC11H14O2


DHf: -93.2 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
3,4,5-Trimethylbenzoic acid
 H=-93.16 HR=NIST
  C    -0.00171483  1   0.00251505  1  -0.02656943  1
  C     1.39001461  1   0.00942232  1   0.03329224  1
  C     2.07926435  1   1.22272980  1   0.04996791  1
  C     1.37196172  1   2.43431181  1   0.00885430  1
  C    -0.03063933  1   2.41805938  1  -0.05067422  1
  C    -0.71277743  1   1.20235620  1  -0.06774843  1
  C    -0.76761350  1  -1.24973547  1  -0.05402395  1
  O     0.04100810  1  -2.34470919  1   0.00262044  1
  O    -1.96335767  1  -1.39153978  1  -0.11915666  1
  C     2.11076442  1   3.73027695  1   0.00354157  1
  C    -0.81837508  1   3.68412343  1  -0.09994996  1
  C     3.57014056  1   1.19994870  1   0.11210829  1
  H     1.94064468  1  -0.93393479  1   0.06496917  1
  H    -1.80467276  1   1.17919103  1  -0.11623710  1
  H    -0.46392514  1  -3.19479947  1  -0.01702566  1
  H     2.38283850  1   4.01533645  1  -1.02493039  1
  H     3.04121821  1   3.68786045  1   0.58649825  1
  H     1.52450568  1   4.55909668  1   0.42356387  1
  H    -0.66985259  1   4.28438113  1   0.81014299  1
  H    -1.89970282  1   3.50649533  1  -0.18778523  1
  H    -0.52784415  1   4.30461404  1  -0.96033634  1
  H     4.01903075  1   1.79922619  1  -0.69347626  1
  H     3.98271893  1   0.18575151  1   0.01837360  1
  H     3.93466899  1   1.60335707  1   1.06891498  1