Accuracy

2,3-naphthalenediol   1169 2,3-Naphthalenediol

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    #  Species Formula
  1159 2,6-Dimethylbenzoic acidC9H10O2
  1160 2-Ethylbenzoic acidC9H10O2
  1161 3,4-Dimethylbenzoic acidC9H10O2
  1162 3,5-Dimethylbenzoic acidC9H10O2
  1163 3-Ethylbenzoic acidC9H10O2
  1164 4-Ethylbenzoic acidC9H10O2
  1165 Methyl 4-methylbenzoateC9H10O2
  1166 1,2-NaphthalenediolC10H8O2
  1167 1,3-NaphthalenediolC10H8O2
  1168 1,4-NaphthalenediolC10H8O2
  1169 2,3-Naphthalenediol C10H8O2
  1170 1-Phenyl-1,3-butanedioneC10H10O2
  1171 2,3,4-Trimethylbenzoic acidC10H12O2
  1172 2,3,5-Trimethylbenzoic acidC10H12O2
  1173 2,3,6-Trimethylbenzoic acidC10H12O2
  1174 2,4,5-Trimethylbenzoic acidC10H12O2
  1175 2,4,6-Trimethylbenzoic acidC10H12O2
  1176 2-Isopropyl benzoic acidC10H12O2
  1177 2-Methyl-2-phenyl-1,3-dioxolaneC10H12O2
  1178 3,4,5-Trimethylbenzoic acidC10H12O2
  1179 3-Isopropyl benzoic acidC10H12O2


ΔHf: -46.1 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
2,3-Naphthalenediol
 H=-46.08 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.37382045 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.41402860 +1  120.2672989 +1    0.0000000 +0     2     1     0
  C     1.37385364 +1  120.3061564 +1    0.0058382 +1     3     2     1
  C     1.41855079 +1  120.4343331 +1    0.0019812 +1     4     3     2
  C     1.41264160 +1  119.2613534 +1   -0.0073883 +1     5     4     3
  C     1.42571458 +1  119.7339922 +1  179.9978932 +1     6     5     4
  C     1.36886466 +1  119.7969085 +1   -0.0036282 +1     7     6     5
  C     1.43714376 +1  120.4662130 +1    0.0012189 +1     8     7     6
  C     1.36891758 +1  120.5130072 +1    0.0001855 +1     9     8     7
  O     1.35507844 +1  124.1669937 +1  179.9991572 +1     8     7     9
  O     1.35513319 +1  115.3302285 +1 -179.9985114 +1     9     8    10
  H     1.08822627 +1  120.6844375 +1  179.9993951 +1     1     2     3
  H     1.08793934 +1  120.7174577 +1  179.9994985 +1     2     1     3
  H     1.08799391 +1  118.9946002 +1 -179.9984088 +1     3     2     4
  H     1.08821192 +1  120.7022552 +1  179.9983154 +1     4     3     5
  H     1.08582166 +1  118.8055050 +1 -179.9996047 +1     7     6     8
  H     1.08581146 +1  121.4057879 +1 -179.9954383 +1    10     9     8
  H     0.99183666 +1  111.2850139 +1    0.0063230 +1    11     8     7
  H     0.99184084 +1  111.2964450 +1  179.9999168 +1    12     9     8