PM7 Accuracy

1,2-naphthalenediol   1170 1,2-Naphthalenediol

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    #  Species Formula
  1160 2,3-Dimethylbenzoic acidC9H10O2
  1161 2,4-Dimethylbenzoic acidC9H10O2
  1162 2,5-Dimethylbenzoic acidC9H10O2
  1163 2,6-Dimethylbenzoic acidC9H10O2
  1164 2-Ethylbenzoic acidC9H10O2
  1165 3,4-Dimethylbenzoic acidC9H10O2
  1166 3,5-Dimethylbenzoic acidC9H10O2
  1167 3-Ethylbenzoic acidC9H10O2
  1168 4-Ethylbenzoic acidC9H10O2
  1169 Methyl 4-methylbenzoateC9H10O2
  1170 1,2-Naphthalenediol C10H8O2
  1171 1,3-NaphthalenediolC10H8O2
  1172 1,4-NaphthalenediolC10H8O2
  1173 2,3-NaphthalenediolC10H8O2
  1174 1-Phenyl-1,3-butanedioneC10H10O2
  1175 2,3,4-Trimethylbenzoic acidC10H12O2
  1176 2,3,5-Trimethylbenzoic acidC10H12O2
  1177 2,3,6-Trimethylbenzoic acidC10H12O2
  1178 2,4,5-Trimethylbenzoic acidC10H12O2
  1179 2,4,6-Trimethylbenzoic acidC10H12O2
  1180 2-Isopropyl benzoic acidC10H12O2


DHf: -47.9 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
1,2-Naphthalenediol
 H=-47.92 HR=NIST
  C    -0.01975937  1  -0.00383501  1  -0.08601920  1
  C     1.35009707  1   0.00813256  1  -0.08742841  1
  C     2.05736590  1   1.23802571  1  -0.06039346  1
  C     1.37846318  1   2.42767485  1  -0.03480958  1
  C    -0.04488290  1   2.45280481  1  -0.03529483  1
  C    -0.74319393  1   1.21860749  1  -0.05928067  1
  C    -2.14922697  1   1.29032238  1  -0.05609752  1
  C    -2.82536861  1   2.49814851  1  -0.03839759  1
  C    -2.13191661  1   3.72366942  1  -0.01453465  1
  C    -0.75727000  1   3.68380262  1  -0.01180646  1
  O    -4.17412781  1   2.47414777  1  -0.03764128  1
  H    -2.69176849  1   4.65621452  1   0.00041457  1
  H    -0.56744750  1  -0.94278368  1  -0.10284210  1
  H     1.91676078  1  -0.92158628  1  -0.10897285  1
  H     3.14536630  1   1.21513108  1  -0.05966826  1
  H     1.91507514  1   3.37558138  1  -0.01446953  1
  O    -3.04600020  1   0.26386837  1  -0.05263587  1
  H    -0.18459479  1   4.61111778  1   0.00751832  1
  H    -2.61258313  1  -0.61063237  1  -0.19380021  1
  H    -4.53929410  1   1.55162648  1  -0.10172952  1