PM7 Accuracy

2-methyl-5-isopropylphenol    877 2-Methyl-5-isopropylphenol

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    #  Species Formula
   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-methylphenolC10H14O
   877 2-Methyl-5-isopropylphenol C10H14O
   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
   887 p-sec-ButylphenolC10H14O


DHf: -46.4 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-Methyl-5-isopropylphenol
 H=-46.42 HR=NIST
  C    -0.01627679  1  -0.00030563  1  -0.00946643  1
  C     1.31085422  1  -0.07971230  1   0.40996208  1
  C     1.89084218  1   1.07870924  1   0.94476583  1
  C     1.19176695  1   2.28060900  1   1.06710474  1
  C    -0.13371262  1   2.33248760  1   0.64134135  1
  C    -0.73231083  1   1.18882485  1   0.10360208  1
  C    -1.04691266  1   4.03017785  1   2.22163511  1
  C    -0.27403169  1   4.70947037  1  -0.08922460  1
  H    -1.76578844  1   1.22451002  1  -0.23068009  1
  H    -0.50196227  1  -0.87938231  1  -0.43139497  1
  O     3.17656868  1   1.12750107  1   1.38630996  1
  H    -1.48825448  1   3.23031842  1   2.82766894  1
  C     2.08492381  1  -1.34613568  1   0.29464613  1
  H     1.68971558  1   3.14994326  1   1.48924794  1
  C    -0.93045223  1   3.60727103  1   0.75182707  1
  H    -0.06790615  1   4.26516696  1   2.65446731  1
  H    -1.67845200  1   4.91805083  1   2.32878202  1
  H     0.72483157  1   4.96284411  1   0.28343386  1
  H    -0.16245595  1   4.39255032  1  -1.13287989  1
  H    -0.87319403  1   5.62523523  1  -0.07901614  1
  H     1.48360099  1  -2.16203897  1  -0.13359356  1
  H     2.43300043  1  -1.70249518  1   1.27565248  1
  H     2.95951201  1  -1.23002930  1  -0.36273248  1
  H    -1.96481989  1   3.43717161  1   0.35621260  1
  H     3.63893898  1   0.26169632  1   1.29043980  1