PM7 Accuracy

m-tert-butylphenol    884 m-tert-Butylphenol

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    #  Species Formula
   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-methylphenolC10H14O
   883 4-Methyl-3-isopropylphenolC10H14O
   884 m-tert-Butylphenol C10H14O
   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
   893 Octahydro-3a-methyl-trans-2H-inden-2-oneC10H16O
   894 Beta-caran-3-olC10H18O


DHf: -44.3 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
m-tert-Butylphenol
 H=-44.26 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39443770  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39326777  1  117.4791579  1    0.0000000  0     2     1     0
  C     1.39954619  1  122.8706320  1   -0.1148844  1     3     2     1
  C     1.39049622  1  118.8368583  1    0.0038227  1     4     3     2
  C     1.38968714  1  120.7201213  1    0.1072541  1     1     2     3
  C     1.51753539  1  122.1201078  1  179.9335414  1     5     4     3
  C     1.53964205  1  108.5049316  1 -118.2907357  1     7     5     4
  C     1.53956822  1  108.7632154  1 -119.9542737  1     7     5     8
  C     1.53763846  1  112.7260789  1 -120.0518750  1     7     5     9
  O     1.36026765  1  122.3499540  1 -179.9805236  1     3     2     4
  H     1.08992178  1  119.4687927  1  179.9776097  1     1     2     6
  H     1.08217125  1  121.0239465  1  179.8234189  1     2     1     3
  H     1.08698801  1  118.5513144  1 -179.8838226  1     4     3     5
  H     1.08712196  1  119.2873620  1 -179.9125770  1     6     1     2
  H     1.09599726  1  111.0254715  1   59.3942642  1     8     7     5
  H     1.09462573  1  111.8666598  1 -119.9748584  1     8     7    16
  H     1.09477853  1  111.1244796  1 -120.1071754  1     8     7    17
  H     1.09644665  1  110.8563736  1  -54.7899522  1     9     7     5
  H     1.09475996  1  111.7998108  1  119.6251925  1     9     7    19
  H     1.09418587  1  111.4359251  1  120.2652500  1     9     7    20
  H     1.09581827  1  111.5747104  1  -60.1317357  1    10     7     5
  H     1.09563098  1  111.5560591  1  120.9812962  1    10     7    22
  H     1.09572311  1  110.8597476  1  119.5834335  1    10     7    23
  H     0.98637853  1  112.1843338  1   -0.0107093  1    11     3     2