PM7 Accuracy

2,3,4,6-tetramethylbenzoic acid   1192 2,3,4,6-Tetramethylbenzoic acid

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    #  Species Formula
  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 acidC11H14O2
  1192 2,3,4,6-Tetramethylbenzoic acid C11H14O2
  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
  1202 XanthoneC13H8O2


DHf: -95.2 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.
  
 INT PM7
2,3,4,6-Tetramethylbenzoic acid
 H=-95.15 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.40187706  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39911236  1  119.2963257  1    0.0000000  0     2     1     0
  C     1.40560511  1  119.2694498  1   -0.0716209  1     3     2     1
  C     1.39422266  1  120.6540857  1   -0.0239594  1     4     3     2
  C     1.39416989  1  120.4488093  1   -0.0144060  1     5     4     3
  C     1.47252250  1  119.1703189  1 -179.1612566  1     1     2     3
  O     1.36224149  1  110.6948897  1  -97.0758820  1     7     1     2
  O     1.20326564  1  129.2826016  1   82.9831409  1     7     1     2
  C     1.49254838  1  120.5306925  1 -179.9941213  1     4     3     2
  C     1.48948385  1  120.6736473  1 -179.7310257  1     6     5     4
  C     1.49216440  1  122.0913781  1  179.9160985  1     3     2     1
  C     1.49178993  1  117.6047878  1 -179.9010011  1     2     1     3
  H     1.08742756  1  119.9047859  1 -179.8905360  1     5     4     3
  H     0.98816098  1  113.3881206  1  179.9918384  1     8     7     1
  H     1.10036617  1  111.4164387  1   57.5284835  1    10     4     3
  H     1.10067768  1  111.2194430  1  -62.0986711  1    10     4     3
  H     1.09827439  1  112.7985202  1  177.7541963  1    10     4     3
  H     1.10200489  1  111.4617536  1 -122.4328257  1    11     6     5
  H     1.10280531  1  110.9707526  1  118.1823073  1    11     6     5
  H     1.09783794  1  112.9086128  1   -2.0194779  1    11     6     5
  H     1.10041552  1  111.1638283  1  118.5954779  1    12     3     2
  H     1.09832581  1  113.5273068  1   -1.5605030  1    12     3     2
  H     1.10044343  1  111.2377118  1 -121.6758068  1    12     3     2
  H     1.10205463  1  111.0543717  1   60.6028707  1    13     2     1
  H     1.10363063  1  111.0580955  1  -58.7373562  1    13     2     1
  H     1.09772358  1  113.8093289  1 -179.0274137  1    13     2     1