PM7 Accuracy

o-tert-butylphenol    886 o-tert-Butylphenol

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    #  Species Formula
   876 2-Isopropyl-6-methylphenolC10H14O
   877 2-Methyl-5-isopropylphenolC10H14O
   878 3-Isopropyl-2-methylphenolC10H14O
   879 3-Methyl-2-isopropylphenolC10H14O
   880 3-Methyl-5-isopropylphenolC10H14O
   881 4-Isopropyl-2-methylphenolC10H14O
   882 4-Isopropyl-3-methylphenolC10H14O
   883 4-Methyl-3-isopropylphenolC10H14O
   884 m-tert-ButylphenolC10H14O
   885 o-sec-ButylphenolC10H14O
   886 o-tert-Butylphenol C10H14O
   887 p-sec-ButylphenolC10H14O
   888 p-tert-Butyl phenolC10H14O
   889 1-AdamantolC10H16O
   890 2-AdamantolC10H16O
   891 CamphorC10H16O
   892 Octahydro-3a-methyl-cis-2H-inden-2-oneC10H16O
   893 Octahydro-3a-methyl-trans-2H-inden-2-oneC10H16O
   894 Beta-caran-3-olC10H18O
   895 CyclodecanoneC10H18O
   896 2,2,5,5-Tetramethyl-3-hexanoneC10H20O


DHf: -47.6 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
o-tert-Butylphenol
 H=-47.59 HR=NIST
  C     0.05562411  1   0.10015560  1  -0.68281221  1
  C     1.29854206  1  -0.02492584  1  -0.06704727  1
  C     1.81511742  1   1.13623268  1   0.54004355  1
  C     1.14370440  1   2.35845109  1   0.53815137  1
  C    -0.09702726  1   2.44023559  1  -0.08976729  1
  C    -0.63814289  1   1.31336102  1  -0.69718323  1
  C     2.06700311  1  -1.32815314  1  -0.03655657  1
  C     2.25736232  1  -1.76529320  1   1.42750528  1
  C     1.33140563  1  -2.46235784  1  -0.77692390  1
  C     3.43267985  1  -1.13045926  1  -0.71938828  1
  O     3.02850981  1   1.02319454  1   1.14938605  1
  H    -0.40410446  1  -0.75960681  1  -1.17109020  1
  H    -1.60636149  1   1.37120615  1  -1.18834568  1
  H     1.57786812  1   3.22931241  1   1.01608467  1
  H     1.29371555  1  -1.87620654  1   1.93466946  1
  H     2.84462005  1  -1.03277264  1   1.99467043  1
  H     2.78564075  1  -2.72143511  1   1.48941832  1
  H     1.18618773  1  -2.22369112  1  -1.83519036  1
  H     0.35414961  1  -2.66894526  1  -0.32889030  1
  H     1.91041483  1  -3.39174250  1  -0.73150590  1
  H     4.05255108  1  -0.40221863  1  -0.18219121  1
  H     3.31323173  1  -0.76606570  1  -1.74437163  1
  H     3.99520514  1  -2.06822567  1  -0.75645421  1
  H     3.32375753  1   1.87752107  1   1.54577412  1
  H    -0.63759718  1   3.38482371  1  -0.10227402  1