PM7 Accuracy

2,3,4-trimethylbenzoic acid   1175 2,3,4-Trimethylbenzoic acid

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    #  Species Formula
  1165 3,4-Dimethylbenzoic acidC9H10O2
  1166 3,5-Dimethylbenzoic acidC9H10O2
  1167 3-Ethylbenzoic acidC9H10O2
  1168 4-Ethylbenzoic acidC9H10O2
  1169 Methyl 4-methylbenzoateC9H10O2
  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 acid C10H12O2
  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 acidC10H12O2
  1183 3-Isopropyl benzoic acidC10H12O2
  1184 4-Isopropyl benzoic acidC10H12O2
  1185 2-Isopropyl-6-methyl-pyrocatecholC10H14O2


DHf: -90.2 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
2,3,4-Trimethylbenzoic acid
 H=-90.18 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.40358793  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.40554028  1  119.0792596  1    0.0000000  0     2     1     0
  C     1.40259731  1  119.9741636  1   -0.0010040  1     3     2     1
  C     1.39791655  1  120.3314569  1   -0.1114356  1     4     3     2
  C     1.40144336  1  120.4356805  1    0.1171100  1     1     2     3
  C     1.46788765  1  125.2749962  1 -179.6366365  1     1     2     3
  O     1.36167956  1  114.8140887  1    0.7723189  1     7     1     2
  O     1.20869978  1  126.6456481  1 -179.4557356  1     7     1     2
  C     1.48844520  1  119.6271111  1 -179.8322434  1     2     1     6
  C     1.49174062  1  120.9093789  1  179.8385299  1     4     3     2
  C     1.49343002  1  122.0656354  1  179.5825150  1     3     2     1
  H     1.08787893  1  120.1400976  1 -179.9508950  1     5     4     3
  H     1.09555752  1  119.5660831  1  179.9286383  1     6     1     2
  H     0.99092216  1  112.3432787  1  179.4316112  1     8     7     1
  H     1.10425932  1  111.2134897  1   57.7423204  1    10     2     1
  H     1.10421256  1  111.1236094  1  -60.5319077  1    10     2     1
  H     1.09707149  1  114.3437146  1  178.5770124  1    10     2     1
  H     1.10083588  1  111.2490981  1  -62.2381696  1    11     4     3
  H     1.09861784  1  112.8204060  1  177.5982420  1    11     4     3
  H     1.10053922  1  111.5440503  1   57.3830544  1    11     4     3
  H     1.10025293  1  111.3912758  1  124.1264299  1    12     3     2
  H     1.09876662  1  113.6975984  1    4.1017678  1    12     3     2
  H     1.10046703  1  111.0558594  1 -116.0811165  1    12     3     2