PM7 Accuracy

p-benzoquinone   1095 p-Benzoquinone

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    #  Species Formula
  1085 1,4-DioxaneC4H8O2
  1086 Ethyl acetateC4H8O2
  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-Benzoquinone C6H4O2
  1096 p-Benzoquinone (Geo)C6H4O2
  1097 1,2-BenzenediolC6H6O2
  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


DHf: -29.3 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
p-Benzoquinone
 HR=C&P1970 H=-29.3
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.48685002  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.33483483  1  121.3881311  1    0.0000000  0     2     1     0
  C     1.48647068  1  121.4059660  1    0.0000000  0     3     2     1
  C     1.48672010  1  117.1983279  1    0.0000000  0     4     3     2
  C     1.33504159  1  121.4164203  1    0.0000000  0     5     4     3
  O     1.20694298  1  121.3870593  1  180.0000000  0     1     6     5
  H     1.09183723  1  123.2748643  1  180.0000000  0     5     6     1
  H     1.09174636  1  115.2408875  1  180.0000000  0     2     1     6
  H     1.09168670  1  115.2858412  1  180.0000000  0     6     1     2
  H     1.09184677  1  123.2940016  1  180.0000000  0     3     2     1
  O     1.20704891  1  121.4046857  1  180.0000000  0     4     3     2