PM7 Accuracy

3-isopropyl-2-methylphenol    878 3-Isopropyl-2-methylphenol

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    #  Species Formula
   868 Di-tert-butyl ketoneC9H18O
   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-methylphenol C10H14O
   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-ButylphenolC10H14O
   888 p-tert-Butyl phenolC10H14O


DHf: -43.6 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
3-Isopropyl-2-methylphenol
 H=-43.64 HR=NIST
  C    -0.01272081  1  -0.01105557  1   0.00091452  1
  C     1.33754835  1   0.01653799  1  -0.36299998  1
  C     1.98477149  1   1.26280384  1  -0.37662785  1
  C     1.34207506  1   2.45815889  1  -0.05170150  1
  C    -0.00120827  1   2.40360322  1   0.30099941  1
  C    -0.66849490  1   1.18273907  1   0.32688864  1
  C    -1.29991406  1  -1.55018238  1   1.48216787  1
  C    -1.95802546  1  -1.25273137  1  -0.94444681  1
  C     2.12162324  1  -1.19523042  1  -0.73678007  1
  O     3.29575599  1   1.41055892  1  -0.70879692  1
  H    -0.46936680  1  -1.54910445  1   2.19807387  1
  H    -1.71970079  1   1.15635910  1   0.60549602  1
  H     1.89119271  1   3.39498360  1  -0.07952508  1
  C    -0.79522796  1  -1.30028458  1   0.05510453  1
  H    -2.00925656  1  -0.77995908  1   1.80391787  1
  H    -1.80678871  1  -2.51795513  1   1.55817283  1
  H    -1.59633745  1  -1.02248494  1  -1.95377187  1
  H    -2.69463800  1  -0.48640480  1  -0.67879328  1
  H    -2.48241979  1  -2.21283446  1  -0.98609835  1
  H     1.52327489  1  -2.11908419  1  -0.70567735  1
  H     2.51111349  1  -1.12168445  1  -1.76368247  1
  H     2.96620543  1  -1.35677531  1  -0.04972249  1
  H    -0.13769149  1  -2.16379928  1  -0.22877410  1
  H     3.73219677  1   0.55532847  1  -0.93325724  1
  H    -0.53142244  1   3.31943237  1   0.55822072  1