PM7 Accuracy

2-isopropyl-6-methylphenol    876 2-Isopropyl-6-methylphenol

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    #  Species Formula
   866 3,3,4,4-Tetramethyl-2-pentanoneC9H18O
   867 5-NonanoneC9H18O
   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-methylphenol C10H14O
   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


DHf: -45.4 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
2-Isopropyl-6-methylphenol
 H=-45.42 HR=NIST
  C     0.00280784  1   0.00185369  1   0.01794975  1
  C     1.32496741  1  -0.02084263  1  -0.43850322  1
  C     1.94043767  1   1.20617447  1  -0.70022237  1
  C     1.27586253  1   2.43475113  1  -0.52830914  1
  C    -0.03678526  1   2.41661944  1  -0.07249829  1
  C    -0.67175115  1   1.20358742  1   0.20033024  1
  C     2.01284041  1  -1.34533168  1  -0.62157022  1
  C     2.44544022  1  -1.54839474  1  -2.08034185  1
  C     3.19783815  1  -1.48184041  1   0.34400719  1
  H     1.28475672  1  -2.16575272  1  -0.37564807  1
  O     3.22191320  1   1.33154023  1  -1.13797589  1
  H    -0.50646761  1  -0.93629349  1   0.23479704  1
  H    -1.69867816  1   1.20093242  1   0.55685239  1
  C     1.98902914  1   3.70218511  1  -0.83785899  1
  H     3.25417812  1  -0.87586091  1  -2.38466714  1
  H     1.60503489  1  -1.36793145  1  -2.76331246  1
  H     2.79286751  1  -2.57392263  1  -2.24798029  1
  H     2.86043040  1  -1.39443655  1   1.38512020  1
  H     3.95831167  1  -0.70864981  1   0.19509915  1
  H     3.68843919  1  -2.45530051  1   0.23450082  1
  H     2.88938863  1   3.81214905  1  -0.21217705  1
  H     2.33704674  1   3.71265289  1  -1.88366567  1
  H     1.36730115  1   4.59207250  1  -0.68405318  1
  H     3.66067001  1   0.45063032  1  -1.26578835  1
  H    -0.57116781  1   3.35335540  1   0.07318738  1