Accuracy

4-methyl 1,2-benzenediol   1125 4-Methyl 1,2-Benzenediol

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    #  Species Formula
  1115 1,1-Dimethoxy-butaneC6H14O2
  1116 1,2-Diethoxy ethaneC6H14O2
  1117 1,6-HexanediolC6H14O2
  1118 2,3-Dimethyl-2,3-butanediolC6H14O2
  1119 DihydoxyphenylboraneH7BC6O2
  1120 3-(2-Furanyl)-2-propenalC7H6O2
  1121 Benzoic acidC7H6O2
  1122 Phenyl formateC7H6O2
  1123 TropoloneC7H6O2
  1124 3-Methyl-1,2-benzenediolC7H8O2
  1125 4-Methyl 1,2-Benzenediol C7H8O2
  1126 Ethyl 2-methylene-3-butenoateC7H10O2
  1127 Ethyl 2-pentynoateC7H10O2
  1128 Ethyl 3-pentynoateC7H10O2
  1129 Ethyl 4-pentynoateC7H10O2
  1130 3,5-HeptanedioneC7H12O2
  1131 3-Ethyl-2,4-pentanedioneC7H12O2
  1132 5-Methyl-2,4-hexanedioneC7H12O2
  1133 Butyl 2-propenoateC7H12O2
  1134 Ethyl (Z)-2-pentenoateC7H12O2
  1135 Ethyl (Z)-3-pentenoateC7H12O2


ΔHf: -71.3 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
4-Methyl 1,2-Benzenediol
 H=-71.32 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.38770181 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39870357 +1  119.5396269 +1    0.0000000 +0     2     1     0
  C     1.39127098 +1  120.6481859 +1    0.0221265 +1     3     2     1
  C     1.40297378 +1  120.0287329 +1    0.0413474 +1     4     3     2
  C     1.38784338 +1  119.5334555 +1   -0.0369785 +1     5     4     3
  H     1.08638029 +1  120.5296451 +1 -179.9850477 +1     2     1     3
  O     1.35922496 +1  123.6186066 +1  179.9670310 +1     1     2     3
  O     1.35712871 +1  123.2701936 +1  179.9669021 +1     6     5     4
  H     1.08755276 +1  119.1308415 +1 -179.9907983 +1     3     2     4
  C     1.49113080 +1  120.8348882 +1 -179.9748038 +1     4     3     5
  H     1.08540741 +1  119.9380909 +1  179.9962779 +1     5     4     6
  H     0.98987012 +1  110.9920799 +1   -0.0116462 +1     8     1     2
  H     0.99030467 +1  111.2074063 +1   -0.0218111 +1     9     6     5
  H     1.10013110 +1  111.2883954 +1 -120.4748780 +1    11     4     3
  H     1.10014890 +1  111.2600131 +1 -119.5754688 +1    11     4    15
  H     1.09798821 +1  112.7636744 +1 -120.2061952 +1    11     4    16