PM7 Accuracy

1,4-naphthalenediol   1172 1,4-Naphthalenediol

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    #  Species Formula
  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-NaphthalenediolC10H8O2
  1171 1,3-NaphthalenediolC10H8O2
  1172 1,4-Naphthalenediol C10H8O2
  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
  1181 2-Methyl-2-phenyl-1,3-dioxolaneC10H12O2
  1182 3,4,5-Trimethylbenzoic acidC10H12O2


DHf: -47.1 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
1,4-Naphthalenediol
 H=-47.08 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.37436028  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.41454218  1  120.4164662  1    0.0000000  0     2     1     0
  C     1.37464289  1  120.4573115  1   -0.0253694  1     3     2     1
  C     1.41587356  1  119.9724428  1    0.0119109  1     4     3     2
  C     1.40990866  1  119.5777342  1    0.0188524  1     5     4     3
  C     1.43158220  1  117.9462019  1  179.9793152  1     6     5     4
  C     1.37184497  1  122.9641687  1    0.0135676  1     7     6     5
  C     1.41699713  1  119.0847878  1   -0.0001315  1     8     7     6
  C     1.37182917  1  119.1245139  1   -0.0092463  1     9     8     7
  H     1.08481216  1  121.7962352  1  179.9991775  1     8     7     9
  H     1.08488386  1  119.0918491  1  179.9971886  1     9     8    10
  H     1.09111059  1  121.3085164  1 -179.9848611  1     1     2     3
  H     1.08860935  1  120.5778284  1  179.9898408  1     2     1     3
  H     1.08868787  1  118.9668247  1 -179.9936000  1     3     2     4
  H     1.09110800  1  121.3257151  1 -179.9964982  1     4     3     5
  O     1.36142158  1  113.8906615  1  179.9990888  1     7     6     8
  O     1.36153797  1  123.1405951  1  179.9960604  1    10     9     8
  H     0.98755735  1  111.7721788  1 -179.9998727  1    17     7     6
  H     0.98758067  1  111.7587682  1    0.0103028  1    18    10     9