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pentamethylbenzoic acid   1195 Pentamethylbenzoic acid

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    #  Species Formula
  1185 1-Naphthoic acidC11H8O2
  1186 Isonaphthoic acidC11H8O2
  1187 2,3,4,5-Tetramethylbenzoic acidC11H14O2
  1188 2,3,4,6-Tetramethylbenzoic acidC11H14O2
  1189 2,3,5,6-Tetramethylbenzoic acidC11H14O2
  1190 p-tert-Butyl benzoic acidC11H14O2
  1191 Oxacyclododecan-2-oneC11H20O2
  1192 Ethyl nonanoateC11H22O2
  1193 1,1-DibutoxypropaneC11H24O2
  1194 5,5-Dimethyl-2-phenyl-1,3-dioxaneC12H16O2
  1195 Pentamethylbenzoic acid C12H16O2
  1196 2,2,6,6-Tetramethyl-3,5-heptanedioneC12H22O2
  1197 Ethyl decanoateC12H24O2
  1198 XanthoneC13H8O2
  1199 Phenyl benzoateC13H10O2
  1200 9,10-AnthroquinoneC14H8O2
  1201 9,10-PhenanthroquinoneC14H8O2
  1202 Nitrogen dioxide, cationNO2
  1203 Nitrogen dioxideNO2
  1204 Nitrogen dioxide (Geo)NO2
  1205 Nitrous acid (cis) (Geo)HNO2


ΔHf: -101.1 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
Pentamethylbenzoic acid
 H=-101.1 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.40101264 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39638489 +1  118.8488797 +1    0.0000000 +0     2     1     0
  C     1.40881070 +1  119.8267026 +1   -0.4121878 +1     3     2     1
  C     1.39901913 +1  120.7059119 +1    0.2693182 +1     4     3     2
  C     1.39325315 +1  121.9216438 +1   -0.0977865 +1     1     2     3
  C     1.47383811 +1  118.4313703 +1 -179.3853903 +1     1     2     3
  O     1.20364883 +1  129.3206808 +1   84.5360839 +1     7     1     2
  O     1.36215073 +1  110.7102109 +1  -95.1972399 +1     7     1     2
  C     1.49221390 +1  117.6710383 +1 -179.9859363 +1     2     1     3
  C     1.49369263 +1  121.4010763 +1  179.4659119 +1     3     2     1
  C     1.49483201 +1  117.8114180 +1 -179.7953189 +1     4     3     2
  C     1.49388904 +1  122.2249181 +1 -178.8116736 +1     5     4     3
  C     1.49227389 +1  119.4869665 +1  179.7026040 +1     6     1     2
  H     0.98786325 +1  113.4173428 +1  179.7551237 +1     9     7     1
  H     1.10193629 +1  111.0726105 +1   58.6757402 +1    10     2     1
  H     1.10337948 +1  110.9404150 +1  -60.7139224 +1    10     2     1
  H     1.09759787 +1  113.8269753 +1  179.0094353 +1    10     2     1
  H     1.10006875 +1  111.3668801 +1  122.6398124 +1    11     3     2
  H     1.10041386 +1  111.0946459 +1 -117.4073756 +1    11     3     2
  H     1.09854450 +1  113.4582111 +1    2.6380299 +1    11     3     2
  H     1.10070654 +1  111.0575200 +1  -59.7354165 +1    12     4     3
  H     1.10050371 +1  111.1436592 +1   59.9249591 +1    12     4     3
  H     1.09817898 +1  113.7597279 +1 -179.8424811 +1    12     4     3
  H     1.10068520 +1  110.9717220 +1  121.3261421 +1    13     5     4
  H     1.10062197 +1  111.2300269 +1 -118.6944646 +1    13     5     4
  H     1.09794482 +1  113.6890042 +1    1.3861729 +1    13     5     4
  H     1.09847121 +1  112.8438634 +1  148.8178868 +1    14     6     1
  H     1.10204785 +1  110.4190902 +1  -90.9020462 +1    14     6     1
  H     1.10060265 +1  112.7127464 +1   28.8828984 +1    14     6     1