PM7 Accuracy

4-isopropyl-3-methylphenol    882 4-Isopropyl-3-methylphenol

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    #  Species Formula
   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-isopropylphenolC10H14O
   881 4-Isopropyl-2-methylphenolC10H14O
   882 4-Isopropyl-3-methylphenol C10H14O
   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
   891 CamphorC10H16O
   892 Octahydro-3a-methyl-cis-2H-inden-2-oneC10H16O


DHf: -44.0 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
4-Isopropyl-3-methylphenol
 H=-44 HR=NIST
  C    -0.00259638  1  -0.01402654  1  -0.02031888  1
  C     1.38979413  1  -0.01313097  1   0.14574543  1
  C     2.02231748  1   1.14184637  1   0.59187125  1
  C     1.31345951  1   2.31080894  1   0.88306165  1
  C    -0.06186602  1   2.28853499  1   0.71233417  1
  C    -0.73838827  1   1.14188028  1   0.26425740  1
  C    -2.69110902  1   1.08660422  1  -1.32270548  1
  C    -2.96916595  1   0.31746200  1   1.08542874  1
  C    -0.59629466  1  -1.29612948  1  -0.50446583  1
  O     3.36781451  1   1.21405560  1   0.77666027  1
  H    -2.13942043  1   1.75958436  1  -1.98987553  1
  H     1.96263219  1  -0.90715785  1  -0.07361302  1
  H     1.83753335  1   3.19614364  1   1.22982708  1
  C    -2.23667164  1   1.26985733  1   0.13098564  1
  H    -2.52748082  1   0.06804548  1  -1.68666659  1
  H    -3.75828234  1   1.30622059  1  -1.43120116  1
  H    -2.81749458  1  -0.73383107  1   0.82488859  1
  H    -2.61327182  1   0.44895971  1   2.11448014  1
  H    -4.04782196  1   0.50543285  1   1.07667485  1
  H    -0.37489816  1  -2.12015927  1   0.19036660  1
  H    -0.18425302  1  -1.57454690  1  -1.48594382  1
  H    -1.68778926  1  -1.26193903  1  -0.61730041  1
  H    -2.53064119  1   2.31415974  1   0.43039321  1
  H     3.81858906  1   0.36452337  1   0.55701106  1
  H    -0.63248745  1   3.19229364  1   0.93389759  1