PM7 Accuracy

3-methyl-2-isopropylphenol    879 3-Methyl-2-isopropylphenol

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    #  Species Formula
   869 1-NonanolC9H20O
   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-isopropylphenol C10H14O
   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-ButylphenolC10H14O
   888 p-tert-Butyl phenolC10H14O
   889 1-AdamantolC10H16O


DHf: -41.0 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-2-isopropylphenol
 H=-41.0 HR=NIST
  C     0.00435389  1   0.01216239  1   0.01706945  1
  C     1.33018481  1  -0.04146982  1  -0.43732289  1
  C     1.94808982  1   1.17766299  1  -0.75165062  1
  C     1.29930623  1   2.41291414  1  -0.63801363  1
  C    -0.01322156  1   2.43092917  1  -0.18952329  1
  C    -0.65572008  1   1.23838779  1   0.13692882  1
  C     2.50078999  1  -1.59073787  1  -2.02694626  1
  C     3.23846542  1  -1.42420508  1   0.40248557  1
  C    -0.74424445  1  -1.22660923  1   0.38932844  1
  O     3.22820755  1   1.28568937  1  -1.19100761  1
  H     1.65752984  1  -1.45131265  1  -2.71609628  1
  H    -1.68316814  1   1.26461988  1   0.48954866  1
  H     1.83060616  1   3.32361881  1  -0.89971790  1
  C     2.05724368  1  -1.35056126  1  -0.57606478  1
  H     3.29468686  1  -0.91078187  1  -2.35389521  1
  H     2.87368861  1  -2.61246284  1  -2.15965714  1
  H     2.88536334  1  -1.31428810  1   1.43635435  1
  H     3.98085343  1  -0.63634799  1   0.23938843  1
  H     3.75437683  1  -2.38731046  1   0.32703706  1
  H    -0.24112396  1  -1.76691505  1   1.20526770  1
  H    -1.76709135  1  -1.01602027  1   0.73114883  1
  H    -0.83355937  1  -1.91424201  1  -0.46476523  1
  H     1.36485302  1  -2.19385533  1  -0.31117658  1
  H     3.67862528  1   0.40628608  1  -1.28372670  1
  H    -0.54171400  1   3.37867372  1  -0.09142924  1