Accuracy

resorcinol   1095 Resorcinol

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    #  Species Formula
  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 HydroquinoneC6H6O2
  1095 Resorcinol C6H6O2
  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
  1105 cis-2,4-Dimethyl-1,3-dioxaneC6H12O2


ΔHf: -68.0 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
Resorcinol
 H=-68.04 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39725985 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39604150 +1  118.4056493 +1    0.0000000 +0     2     1     0
  C     1.38893821 +1  121.0763318 +1    0.0134107 +1     3     2     1
  C     1.40256453 +1  118.4627539 +1    0.0129268 +1     4     3     2
  C     1.39351881 +1  122.7250481 +1   -0.0084461 +1     5     4     3
  O     1.35585708 +1  122.2416508 +1 -179.9990378 +1     1     2     3
  O     1.35473760 +1  115.2151416 +1  179.9949297 +1     5     4     6
  H     1.08207312 +1  121.0828644 +1  179.9979695 +1     2     1     3
  H     1.09153952 +1  119.3381198 +1 -179.9958866 +1     3     2     4
  H     1.08540601 +1  121.8092768 +1 -179.9966348 +1     4     3     5
  H     1.08241371 +1  122.9301226 +1  179.9867126 +1     6     5     4
  H     0.98838359 +1  112.3468575 +1   -0.0003833 +1     7     1     2
  H     0.98905414 +1  112.3732818 +1  179.9987861 +1     8     5     4