Accuracy

hydroquinone   1094 Hydroquinone

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  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-BenzenediolC6H6O2
  1094 Hydroquinone C6H6O2
  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
  1104 5,5-Dimethyl-1,3-dioxaneC6H12O2


ΔHf: -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