Accuracy

1,2-benzenediol   1093 1,2-Benzenediol

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    #  Species Formula
  1083 1,2-DimethoxyethaneC4H10O2
  1084 1,4 ButandiolC4H10O2
  1085 Diethyl peroxideC4H10O2
  1086 Dimethyl acetalC4H10O2
  1087 AcetylacetoneC5H8O2
  1088 Ethyl propionateC5H10O2
  1089 Isopropyl acetateC5H10O2
  1090 1,5 PentandiolC5H12O2
  1091 p-BenzoquinoneC6H4O2
  1092 p-Benzoquinone (Geo)C6H4O2
  1093 1,2-Benzenediol C6H6O2
  1094 HydroquinoneC6H6O2
  1095 ResorcinolC6H6O2
  1096 1,3-CyclohexanedioneC6H8O2
  1097 1,4-CyclohexanedioneC6H8O2
  1098 2,4-HexanedioneC6H10O2
  1099 2-OxepanoneC6H10O2
  1100 3-Methyl-2,4-pentandioneC6H10O2
  1101 Ethyl-(E)-2-butenoateC6H10O2
  1102 1,1-Dimethoxy-2-buteneC6H12O2
  1103 4-Hydroxy-4-methylpentan-2-oneC6H12O2


ΔHf: -65.7 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
1,2-Benzenediol
 H=-65.68 HR=NIST
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.35778962 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.38868847 +1  123.4617441 +1    0.0000000 +0     2     1     0
  C     1.39908776 +1  119.2978030 +1 -179.9851664 +1     3     2     1
  C     1.38847427 +1  120.5275479 +1    0.0025974 +1     4     3     2
  C     1.39911090 +1  120.5085464 +1   -0.0025200 +1     5     4     3
  C     1.38876121 +1  119.3351045 +1   -0.0045197 +1     6     5     4
  H     1.08816803 +1  120.1382155 +1 -179.9973692 +1     5     4     6
  H     0.99033551 +1  111.1683485 +1    0.0023082 +1     1     2     3
  H     1.08584565 +1  120.6033479 +1 -179.9973638 +1     3     2     4
  H     1.08823285 +1  119.3178772 +1 -179.9992259 +1     4     3     5
  H     1.08588411 +1  120.0955393 +1  179.9952822 +1     6     5     7
  O     1.35774825 +1  123.4551627 +1 -179.9998382 +1     7     6     5
  H     0.99036001 +1  111.1697643 +1   -0.0150073 +1    13     7     6