Accuracy

4-methyl-3-isopropylphenol    880 4-Methyl-3-isopropylphenol

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    #  Species Formula
   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-isopropylphenolC10H14O
   877 3-Methyl-5-isopropylphenolC10H14O
   878 4-Isopropyl-2-methylphenolC10H14O
   879 4-Isopropyl-3-methylphenolC10H14O
   880 4-Methyl-3-isopropylphenol C10H14O
   881 m-tert-ButylphenolC10H14O
   882 o-sec-ButylphenolC10H14O
   883 o-tert-ButylphenolC10H14O
   884 p-sec-ButylphenolC10H14O
   885 p-tert-Butyl phenolC10H14O
   886 1-AdamantolC10H16O
   887 2-AdamantolC10H16O
   888 CamphorC10H16O
   889 Octahydro-3a-methyl-cis-2H-inden-2-oneC10H16O
   890 Octahydro-3a-methyl-trans-2H-inden-2-oneC10H16O


ΔHf: -44.2 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-Methyl-3-isopropylphenol
 H=-44.24 HR=NIST
  C    -0.01505852 +1  -0.00219334 +1  -0.01710550 +1
  C     1.33581938 +1  -0.01961241 +1   0.36004501 +1
  C     2.02643963 +1   1.17939561 +1   0.50034205 +1
  C     1.41976041 +1   2.41866315 +1   0.27587563 +1
  C     0.08542406 +1   2.42015776 +1  -0.09620770 +1
  C    -0.64183981 +1   1.22730078 +1  -0.24576024 +1
  C    -1.14620093 +1  -1.61198899 +1  -1.58111377 +1
  C    -1.82229039 +1  -1.50791537 +1   0.86921327 +1
  C    -2.07080229 +1   1.38881429 +1  -0.64902455 +1
  O     3.33638170 +1   1.23011218 +1   0.86478730 +1
  H    -0.32207935 +1  -1.46748049 +1  -2.29025214 +1
  H    -1.95384930 +1  -0.93922917 +1  -1.88660944 +1
  H     1.98803610 +1   3.33637877 +1   0.39361764 +1
  C    -0.68109256 +1  -1.35346946 +1  -0.14309722 +1
  H     0.07598183 +1  -2.14980961 +1   0.09971289 +1
  H    -1.51291896 +1  -2.63750646 +1  -1.69679407 +1
  H    -2.65772307 +1  -0.83146212 +1   0.66302146 +1
  H    -1.47506588 +1  -1.28922971 +1   1.88617257 +1
  H    -2.21842846 +1  -2.52912441 +1   0.86218666 +1
  H    -2.15183946 +1   1.91173598 +1  -1.61342000 +1
  H    -2.60746916 +1   0.43846279 +1  -0.75978232 +1
  H    -2.62481902 +1   1.98027183 +1   0.09476411 +1
  H     3.71592231 +1   0.33167545 +1   1.01035302 +1
  H    -0.41606889 +1   3.37165586 +1  -0.27780668 +1
  H     1.84125667 +1  -0.96267216 +1   0.54176051 +1