PM7 Accuracy

p-sec-butylphenol    887 p-sec-Butylphenol

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    #  Species Formula
   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-ButylphenolC10H14O
   887 p-sec-Butylphenol C10H14O
   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
   897 DecanolC10H22O


DHf: -45.6 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
p-sec-Butylphenol
 H=-45.58 HR=NIST
  C     0.02579605  1  -0.04724939  1   0.03692711  1
  C     1.41023567  1  -0.03604178  1   0.19028237  1
  C     1.99788921  1   1.06867441  1   0.80648273  1
  C     1.24661478  1   2.15333245  1   1.26998987  1
  C    -0.13186359  1   2.11526091  1   1.10612952  1
  C    -0.75055185  1   1.01938246  1   0.49267067  1
  C    -2.85777895  1  -0.26562131  1   0.92519887  1
  C    -4.34957171  1  -0.09681586  1   1.21020936  1
  C    -2.24737117  1   1.01881217  1   0.32653885  1
  H    -0.45267206  1  -0.89906360  1  -0.44528037  1
  O     3.34086433  1   1.16926034  1   0.99960191  1
  C    -2.59992129  1   1.16500781  1  -1.15984196  1
  H     2.01182917  1  -0.86608766  1  -0.16232230  1
  H     1.74356748  1   2.99601544  1   1.74241203  1
  H    -0.73668014  1   2.95023622  1   1.45980099  1
  H    -2.32657081  1  -0.52605427  1   1.86145425  1
  H    -2.69735598  1  -1.11859582  1   0.24128295  1
  H    -4.53301189  1   0.71048973  1   1.92804276  1
  H    -4.90934989  1   0.13836144  1   0.29829775  1
  H    -4.77699443  1  -1.01369022  1   1.63094411  1
  H    -2.67842577  1   1.89484778  1   0.87556873  1
  H    -2.14379743  1   2.06686573  1  -1.58496972  1
  H    -2.24421656  1   0.31146064  1  -1.74599557  1
  H    -3.68293756  1   1.23851723  1  -1.30449986  1
  H     3.82604782  1   0.38246454  1   0.65594896  1