PM7 Accuracy

3-methyl-5-isopropylphenol    880 3-Methyl-5-isopropylphenol

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    #  Species Formula
   870 Amyl-t-butyl etherC9H20O
   871 Butyl 1,1-dimethylpropyl etherC9H20O
   872 4-Phenyl-3-buten-2-oneC10H10O
   873 2-AdamantoneC10H14O
   874 2-Isopropyl-4-methylphenolC10H14O
   875 2-Isopropyl-5-methylphenolC10H14O
   876 2-Isopropyl-6-methylphenolC10H14O
   877 2-Methyl-5-isopropylphenolC10H14O
   878 3-Isopropyl-2-methylphenolC10H14O
   879 3-Methyl-2-isopropylphenolC10H14O
   880 3-Methyl-5-isopropylphenol C10H14O
   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-ButylphenolC10H14O
   888 p-tert-Butyl phenolC10H14O
   889 1-AdamantolC10H16O
   890 2-AdamantolC10H16O


DHf: -50.2 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
3-Methyl-5-isopropylphenol
 H=-50.22 HR=NIST
  C     0.01004069  1  -0.00151877  1   0.00375707  1
  C     1.38104175  1  -0.03800905  1   0.27008686  1
  C     2.01344204  1   1.15573482  1   0.61525231  1
  C     1.33497050  1   2.37386306  1   0.70470057  1
  C    -0.03173704  1   2.38753227  1   0.43696362  1
  C    -0.68888206  1   1.20286531  1   0.08679535  1
  C    -0.77367550  1   4.22164075  1   1.95007067  1
  C    -0.28006753  1   4.68869451  1  -0.48615228  1
  H    -1.75420395  1   1.22134729  1  -0.12251984  1
  C    -0.69844438  1  -1.25981940  1  -0.36928335  1
  O     3.34420941  1   1.21281868  1   0.88911024  1
  H    -1.13390580  1   3.48005081  1   2.67251153  1
  H     1.93202288  1  -0.96718258  1   0.21004468  1
  H     1.87417210  1   3.27554570  1   0.97871742  1
  C    -0.82410452  1   3.66812323  1   0.52070504  1
  H     0.24692291  1   4.49271771  1   2.24313951  1
  H    -1.39618453  1   5.11678337  1   2.04952567  1
  H     0.75324609  1   4.97191312  1  -0.25613204  1
  H    -0.28717145  1   4.28064777  1  -1.50391129  1
  H    -0.88214079  1   5.60288663  1  -0.48731759  1
  H    -0.60787554  1  -2.01819229  1   0.42247906  1
  H    -0.27863572  1  -1.69503113  1  -1.28836467  1
  H    -1.77130297  1  -1.10702338  1  -0.54705759  1
  H    -1.89583304  1   3.46311822  1   0.26453307  1
  H     3.77656614  1   0.32858708  1   0.81544166  1