Accuracy

p-tert-butyl benzoic acid   1190 p-tert-Butyl benzoic acid

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    #  Species Formula
  1180 4-Isopropyl benzoic acidC10H12O2
  1181 2-Isopropyl-6-methyl-pyrocatecholC10H14O2
  1182 Cyclohexyl butanoateC10H18O2
  1183 Ethyl octanoateC10H20O2
  1184 1,10-DecanediolC10H22O2
  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 acid C11H14O2
  1191 Oxacyclododecan-2-oneC11H20O2
  1192 Ethyl nonanoateC11H22O2
  1193 1,1-DibutoxypropaneC11H24O2
  1194 5,5-Dimethyl-2-phenyl-1,3-dioxaneC12H16O2
  1195 Pentamethylbenzoic acidC12H16O2
  1196 2,2,6,6-Tetramethyl-3,5-heptanedioneC12H22O2
  1197 Ethyl decanoateC12H24O2
  1198 XanthoneC13H8O2
  1199 Phenyl benzoateC13H10O2
  1200 9,10-AnthroquinoneC14H8O2


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.
  
 PM7
p-tert-Butyl benzoic acid
 H=-95.24 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39529741 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39133218 +1  119.6919807 +1    0.0000000 +0     2     1     0
  C     1.39887116 +1  120.8219665 +1   -0.3028697 +1     3     2     1
  C     1.39720868 +1  120.1130359 +1   -0.3723121 +1     1     2     3
  C     1.38991668 +1  119.7834907 +1    0.3430707 +1     5     1     2
  H     1.09368691 +1  119.7528910 +1 -179.9331717 +1     5     1     6
  H     1.08880996 +1  119.0071790 +1 -179.4548953 +1     6     5     1
  C     1.46633744 +1  121.6900966 +1 -179.8168066 +1     1     2     5
  O     1.20579881 +1  128.0864467 +1  179.6426837 +1     9     1     2
  O     1.36201708 +1  112.0586458 +1  179.9850631 +1     9     1    10
  C     1.51820771 +1  120.7313284 +1  178.6278941 +1     4     3     2
  C     1.53956010 +1  106.9881971 +1  -90.7976925 +1    12     4     3
  H     1.09287473 +1  120.1251255 +1  179.9703355 +1     2     1     3
  H     1.08867259 +1  118.8332900 +1  179.8349075 +1     3     2     4
  C     1.53831105 +1  111.3198326 +1 -119.7876917 +1    12     4    13
  C     1.53790118 +1  111.6430957 +1 -120.3593530 +1    12     4    16
  H     0.98822730 +1  113.1960199 +1 -179.9828955 +1    11     9     1
  H     1.09572856 +1  111.3421857 +1   59.8918478 +1    13    12     4
  H     1.09570407 +1  111.3713324 +1 -119.8299305 +1    13    12    19
  H     1.09480877 +1  111.1755332 +1 -120.1018182 +1    13    12    20
  H     1.09582333 +1  111.1724694 +1  -54.1237068 +1    16    12     4
  H     1.09483217 +1  112.2529914 +1  121.1433096 +1    16    12    22
  H     1.09622501 +1  111.0191691 +1  119.2820327 +1    16    12    23
  H     1.09578758 +1  111.2085332 +1   54.3229733 +1    17    12     4
  H     1.09491805 +1  112.2060231 +1 -121.2343959 +1    17    12    25
  H     1.09634619 +1  110.9979511 +1 -119.2139830 +1    17    12    26