PM7 Accuracy

hydroquinone   1098 Hydroquinone

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    #  Species Formula
  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-BenzenediolC6H6O2
  1098 Hydroquinone C6H6O2
  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
  1108 5,5-Dimethyl-1,3-dioxaneC6H12O2


DHf: -66.2 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
Hydroquinone
 H=-66.2 HR=NIST
  O     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.36260953  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39270327  1  122.6839321  1    0.0000000  0     2     1     0
  C     1.39537884  1  118.6502968  1 -179.9998505  1     3     2     1
  C     1.39251309  1  118.6982232  1   -0.0096066  1     4     3     2
  C     1.40342277  1  122.6229138  1   -0.0015032  1     5     4     3
  C     1.38437037  1  118.6988902  1    0.0215671  1     6     5     4
  O     1.36250504  1  122.6650635  1  179.9996988  1     5     4     6
  H     0.98618710  1  111.9435795  1    0.0171961  1     1     2     3
  H     1.08520174  1  121.0766966  1  179.9876393  1     3     2     4
  H     1.08531374  1  120.2409386  1 -179.9996201  1     4     3     5
  H     1.08865953  1  119.5989785  1 -179.9982689  1     6     5     7
  H     1.08860212  1  121.7066770  1 -179.9901922  1     7     6     5
  H     0.98623282  1  111.9386825  1   -0.0220305  1     8     5     4