Accuracy

3-methyl-1,2-benzenediol   1124 3-Methyl-1,2-benzenediol

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    #  Species Formula
  1114 1,1-Diethoxy ethaneC6H14O2
  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-benzenediol C7H8O2
  1125 4-Methyl 1,2-BenzenediolC7H8O2
  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


ΔHf: -71.5 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
3-Methyl-1,2-benzenediol
 H=-71.53 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39370014 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.40273807 +1  118.8441558 +1    0.0000000 +0     2     1     0
  C     1.38761087 +1  120.8856091 +1   -0.0022748 +1     3     2     1
  C     1.39799928 +1  120.5724721 +1    0.0025251 +1     4     3     2
  C     1.38922707 +1  119.0154579 +1    0.0181174 +1     5     4     3
  C     1.48945015 +1  121.7404470 +1  179.9866313 +1     2     1     3
  O     1.35854915 +1  124.3826279 +1 -179.9482798 +1     1     2     3
  O     1.35784550 +1  123.1204824 +1 -179.9864180 +1     6     5     4
  H     1.08772879 +1  119.2263943 +1 -179.9950667 +1     3     2     4
  H     1.08852902 +1  119.9975126 +1 -179.9888960 +1     4     3     5
  H     1.08519277 +1  120.2627541 +1  179.9992505 +1     5     4     6
  H     1.10172059 +1  111.1069504 +1 -120.5493388 +1     7     2     1
  H     1.10181729 +1  111.0723791 +1 -119.1241836 +1     7     2    13
  H     1.09854536 +1  113.7943918 +1 -120.3623506 +1     7     2    14
  H     0.99287529 +1  111.1138996 +1    0.0210683 +1     8     1     2
  H     0.99021219 +1  111.1562490 +1    0.0045749 +1     9     6     5