Accuracy

3-methyl-2-isopropylphenol    876 3-Methyl-2-isopropylphenol

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    #  Species Formula
   866 1-NonanolC9H20O
   867 Amyl-t-butyl etherC9H20O
   868 Butyl 1,1-dimethylpropyl etherC9H20O
   869 4-Phenyl-3-buten-2-oneC10H10O
   870 2-AdamantoneC10H14O
   871 2-Isopropyl-4-methylphenolC10H14O
   872 2-Isopropyl-5-methylphenolC10H14O
   873 2-Isopropyl-6-methylphenolC10H14O
   874 2-Methyl-5-isopropylphenolC10H14O
   875 3-Isopropyl-2-methylphenolC10H14O
   876 3-Methyl-2-isopropylphenol C10H14O
   877 3-Methyl-5-isopropylphenolC10H14O
   878 4-Isopropyl-2-methylphenolC10H14O
   879 4-Isopropyl-3-methylphenolC10H14O
   880 4-Methyl-3-isopropylphenolC10H14O
   881 m-tert-ButylphenolC10H14O
   882 o-sec-ButylphenolC10H14O
   883 o-tert-ButylphenolC10H14O
   884 p-sec-ButylphenolC10H14O
   885 p-tert-Butyl phenolC10H14O
   886 1-AdamantolC10H16O


ΔHf: -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