PM7 Accuracy

1,3-naphthalenediol   1171 1,3-Naphthalenediol

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    #  Species Formula
  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-NaphthalenediolC10H8O2
  1171 1,3-Naphthalenediol C10H8O2
  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
  1181 2-Methyl-2-phenyl-1,3-dioxolaneC10H12O2


DHf: -50.5 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
1,3-Naphthalenediol
 H=-50.48 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.37314837  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.41552099  1  119.9934160  1    0.0000000  0     2     1     0
  C     1.37267055  1  120.7444242  1   -0.0031873  1     3     2     1
  C     1.42175133  1  120.4437861  1   -0.0068831  1     4     3     2
  C     1.41469544  1  118.4956506  1    0.0043802  1     5     4     3
  C     1.42988071  1  117.8271272  1 -179.9861898  1     6     5     4
  C     1.37459490  1  123.0131455  1   -0.0007689  1     7     6     5
  C     1.41695767  1  116.9311536  1   -0.0043998  1     8     7     6
  C     1.37696695  1  123.1720057  1    0.0007234  1     9     8     7
  H     1.08309874  1  123.5731784  1 -179.9995417  1     8     7     9
  O     1.35548327  1  113.8907475  1  179.9990424  1     9     8    10
  H     1.09173707  1  121.0806986  1 -179.9958756  1     1     2     3
  H     1.08682650  1  120.8713982  1  179.9964141  1     2     1     3
  H     1.08968402  1  118.7334375  1  179.9976421  1     3     2     4
  H     1.08741115  1  120.9102502  1 -179.9988799  1     4     3     5
  O     1.35309677  1  114.4387812  1  179.9974130  1     7     6     8
  H     1.08221817  1  121.7651434  1 -179.9978501  1    10     9     8
  H     0.99090827  1  112.2976266  1 -179.9992366  1    17     7     6
  H     0.98912798  1  112.2414384  1  179.9982009  1    12     9     8