PM7 Accuracy

2,3,5,6-tetramethylbenzoic acid   1193 2,3,5,6-Tetramethylbenzoic acid

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    #  Species Formula
  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
  1193 2,3,5,6-Tetramethylbenzoic acid C11H14O2
  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
  1202 XanthoneC13H8O2
  1203 Phenyl benzoateC13H10O2


DHf: -95.6 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
2,3,5,6-Tetramethylbenzoic acid
 H=-95.63 HR=NIST
  C     0.01727032  1   0.01108785  1   0.00429417  1
  C     1.41472635  1   0.01744004  1   0.06312553  1
  C     2.07338757  1   1.25244701  1   0.08961499  1
  C     1.32149015  1   2.42841270  1   0.05315495  1
  C    -0.07297689  1   2.41409403  1  -0.00958231  1
  C    -0.74251239  1   1.18509125  1  -0.03694456  1
  C    -0.68753316  1  -1.28531346  1   0.00670709  1
  O    -0.87208391  1  -1.73451385  1  -1.26525184  1
  O    -1.08529047  1  -1.93226396  1   0.94013548  1
  C    -0.77846744  1   3.72860090  1  -0.04644067  1
  C    -2.22680003  1   1.06578783  1  -0.10661126  1
  C     3.55823382  1   1.38369524  1   0.15440711  1
  C     2.13100218  1  -1.28980796  1   0.09423265  1
  H     1.83987542  1   3.38756267  1   0.07478119  1
  H    -1.34280838  1  -2.60219072  1  -1.31055995  1
  H    -1.87209490  1   3.63786435  1  -0.08239025  1
  H    -0.48097145  1   4.31435640  1  -0.92898805  1
  H    -0.54065421  1   4.33138743  1   0.84281410  1
  H    -2.62233878  1   0.50517629  1   0.75720763  1
  H    -2.53826669  1   0.52991878  1  -1.01830004  1
  H    -2.74579219  1   2.03325294  1  -0.11683520  1
  H     3.86678771  1   1.95163948  1   1.04473146  1
  H     3.94708038  1   1.91613735  1  -0.72664784  1
  H     4.08180221  1   0.41931910  1   0.19754553  1
  H     1.91973287  1  -1.87813476  1  -0.81353173  1
  H     1.81753047  1  -1.89604957  1   0.96013290  1
  H     3.22258513  1  -1.19174515  1   0.15900585  1