Accuracy

1,3-naphthalenediol   1167 1,3-Naphthalenediol

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    #  Species Formula
  1157 2,4-Dimethylbenzoic acidC9H10O2
  1158 2,5-Dimethylbenzoic acidC9H10O2
  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-Naphthalenediol C10H8O2
  1168 1,4-NaphthalenediolC10H8O2
  1169 2,3-NaphthalenediolC10H8O2
  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


ΔHf: -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