PM7 Accuracy

1,2-benzenediol   1097 1,2-Benzenediol

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    #  Species Formula
  1087 1,2-DimethoxyethaneC4H10O2
  1088 1,4 ButandiolC4H10O2
  1089 Diethyl peroxideC4H10O2
  1090 Dimethyl acetalC4H10O2
  1091 AcetylacetoneC5H8O2
  1092 Ethyl propionateC5H10O2
  1093 Isopropyl acetateC5H10O2
  1094 1,5 PentandiolC5H12O2
  1095 p-BenzoquinoneC6H4O2
  1096 p-Benzoquinone (Geo)C6H4O2
  1097 1,2-Benzenediol C6H6O2
  1098 HydroquinoneC6H6O2
  1099 ResorcinolC6H6O2
  1100 1,3-CyclohexanedioneC6H8O2
  1101 1,4-CyclohexanedioneC6H8O2
  1102 2,4-HexanedioneC6H10O2
  1103 2-OxepanoneC6H10O2
  1104 3-Methyl-2,4-pentandioneC6H10O2
  1105 Ethyl-(E)-2-butenoateC6H10O2
  1106 1,1-Dimethoxy-2-buteneC6H12O2
  1107 4-Hydroxy-4-methylpentan-2-oneC6H12O2


DHf: -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