PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

2,3,4,6-tetramethylbenzoic acid   1190 2,3,4,6-Tetramethylbenzoic acid

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    #  Species Formula
  1180 3,4,5-Trimethylbenzoic acidC10H12O2
  1181 3-Isopropyl benzoic acidC10H12O2
  1182 4-Isopropyl benzoic acidC10H12O2
  1183 2-Isopropyl-6-methyl-pyrocatecholC10H14O2
  1184 Cyclohexyl butanoateC10H18O2
  1185 Ethyl octanoateC10H20O2
  1186 1,10-DecanediolC10H22O2
  1187 1-Naphthoic acidC11H8O2
  1188 Isonaphthoic acidC11H8O2
  1189 2,3,4,5-Tetramethylbenzoic acidC11H14O2
  1190 2,3,4,6-Tetramethylbenzoic acid C11H14O2
  1191 2,3,5,6-Tetramethylbenzoic acidC11H14O2
  1192 p-tert-Butyl benzoic acidC11H14O2
  1193 Oxacyclododecan-2-oneC11H20O2
  1194 Ethyl nonanoateC11H22O2
  1195 1,1-DibutoxypropaneC11H24O2
  1196 5,5-Dimethyl-2-phenyl-1,3-dioxaneC12H16O2
  1197 Pentamethylbenzoic acidC12H16O2
  1198 2,2,6,6-Tetramethyl-3,5-heptanedioneC12H22O2
  1199 Ethyl decanoateC12H24O2
  1200 XanthoneC13H8O2


ΔHf: -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