PM7 Accuracy

resorcinol   1099 Resorcinol

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    #  Species Formula
  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 HydroquinoneC6H6O2
  1099 Resorcinol C6H6O2
  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
  1109 cis-2,4-Dimethyl-1,3-dioxaneC6H12O2


DHf: -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