Accuracy

1,2-naphthalenediol   1166 1,2-Naphthalenediol

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    #  Species Formula
  1156 2,3-Dimethylbenzoic acidC9H10O2
  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-Naphthalenediol C10H8O2
  1167 1,3-NaphthalenediolC10H8O2
  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


ΔHf: -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    -0.02947290 +1   0.00189540 +1  -0.07307849 +1
  C     1.34142657 +1   0.00954004 +1  -0.07773042 +1
  C     2.05173111 +1   1.23618507 +1  -0.06352819 +1
  C     1.37428454 +1   2.42707742 +1  -0.04082798 +1
  C    -0.04834702 +1   2.45071350 +1  -0.03842415 +1
  C    -0.75388792 +1   1.22431702 +1  -0.05847689 +1
  C    -2.17099737 +1   1.27403960 +1  -0.05997107 +1
  C    -2.84324655 +1   2.48457269 +1  -0.03523653 +1
  C    -2.13054967 +1   3.70698397 +1  -0.01158445 +1
  C    -0.75998715 +1   3.68214472 +1  -0.01577722 +1
  O    -4.19571298 +1   2.59052695 +1  -0.03119594 +1
  H    -2.69656595 +1   4.63755538 +1   0.00589955 +1
  H    -0.57224692 +1  -0.94122896 +1  -0.07343429 +1
  H     1.90458324 +1  -0.92240059 +1  -0.09043771 +1
  H     3.13968481 +1   1.21325658 +1  -0.06809644 +1
  H     1.91155284 +1   3.37431318 +1  -0.02429304 +1
  O    -2.96460534 +1   0.16317528 +1  -0.06599917 +1
  H    -0.19227872 +1   4.61188661 +1  -0.00161713 +1
  H    -2.44623535 +1  -0.65334114 +1  -0.26826811 +1
  H    -4.61752951 +1   1.68981349 +1  -0.05828245 +1