PM7 Accuracy

2,3,4,5-tetramethylbenzoic acid   1191 2,3,4,5-Tetramethylbenzoic acid

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    #  Species Formula
  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
  1186 Cyclohexyl butanoateC10H18O2
  1187 Ethyl octanoateC10H20O2
  1188 1,10-DecanediolC10H22O2
  1189 1-Naphthoic acidC11H8O2
  1190 Isonaphthoic acidC11H8O2
  1191 2,3,4,5-Tetramethylbenzoic acid C11H14O2
  1192 2,3,4,6-Tetramethylbenzoic acidC11H14O2
  1193 2,3,5,6-Tetramethylbenzoic acidC11H14O2
  1194 p-tert-Butyl benzoic acidC11H14O2
  1195 Oxacyclododecan-2-oneC11H20O2
  1196 Ethyl nonanoateC11H22O2
  1197 1,1-DibutoxypropaneC11H24O2
  1198 5,5-Dimethyl-2-phenyl-1,3-dioxaneC12H16O2
  1199 Pentamethylbenzoic acidC12H16O2
  1200 2,2,6,6-Tetramethyl-3,5-heptanedioneC12H22O2
  1201 Ethyl decanoateC12H24O2


DHf: -95.3 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
2,3,4,5-Tetramethylbenzoic acid
 H=-95.29 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39829349  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.40871067  1  119.0039839  1    0.0000000  0     2     1     0
  C     1.39908545  1  120.2944771  1    3.5372684  1     3     2     1
  C     1.40654177  1  119.9149516  1   -3.0089105  1     4     3     2
  C     1.38858019  1  119.7246448  1    0.4714700  1     5     4     3
  C     1.46952744  1  121.9256042  1  178.4381706  1     1     2     3
  O     1.36492833  1  110.7120779  1 -148.8183341  1     7     1     2
  O     1.20560600  1  130.3349935  1   32.0792144  1     7     1     2
  C     1.49340779  1  122.1071641  1  176.6137444  1     4     3     2
  C     1.49222799  1  121.0824128  1 -179.1814243  1     5     4     3
  C     1.49530482  1  118.9257318  1 -176.3946468  1     3     2     1
  C     1.49039519  1  120.9001204  1 -179.2275706  1     2     1     3
  H     1.09291394  1  120.0698660  1 -178.5449797  1     6     5     4
  H     0.98830427  1  112.9693579  1 -179.2249221  1     8     7     1
  H     1.10058005  1  111.0268330  1  116.7115644  1    10     4     3
  H     1.09710823  1  113.8083186  1   -4.1171608  1    10     4     3
  H     1.10109469  1  111.0057328  1 -123.9530666  1    10     4     3
  H     1.09992005  1  111.4793562  1  -59.0049082  1    11     5     4
  H     1.09894485  1  112.5677917  1 -179.0535200  1    11     5     4
  H     1.10005529  1  111.3105289  1   60.9978825  1    11     5     4
  H     1.09848168  1  112.7783787  1  155.2831708  1    12     3     2
  H     1.09974244  1  112.0797488  1   36.3216497  1    12     3     2
  H     1.10016600  1  110.8790439  1  -84.1601553  1    12     3     2
  H     1.10026984  1  111.0012416  1   93.0526006  1    13     2     1
  H     1.10392408  1  113.0152897  1  -26.9364286  1    13     2     1
  H     1.09891776  1  112.5688263  1 -145.9366363  1    13     2     1