PM7 Accuracy

octahydro-3a-methyl-cis-2h-inden-2-one    892 Octahydro-3a-methyl-cis-2H-inden-2-one

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    #  Species Formula
   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
   888 p-tert-Butyl phenolC10H14O
   889 1-AdamantolC10H16O
   890 2-AdamantolC10H16O
   891 CamphorC10H16O
   892 Octahydro-3a-methyl-cis-2H-inden-2-one C10H16O
   893 Octahydro-3a-methyl-trans-2H-inden-2-oneC10H16O
   894 Beta-caran-3-olC10H18O
   895 CyclodecanoneC10H18O
   896 2,2,5,5-Tetramethyl-3-hexanoneC10H20O
   897 DecanolC10H22O
   898 Dipentyl etherC10H22O
   899 2,4,5-Trimethyl-acetophenoneC11H14O
   900 2,4,6-Trimethyl-acetophenoneC11H14O
   901 2-tert-Butyl-p-cresolC11H16O
   902 3-Methyl-2-phenylbutane-2-olC11H16O


DHf: -68.6 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
Octahydro-3a-methyl-cis-2H-inden-2-one
 H=-68.59 HR=NIST
  C    -0.02198835  1  -0.01229167  1  -0.00067259  1
  C    -0.89161884  1   1.09154451  1   0.60797292  1
  C    -0.00107704  1   2.14935916  1   1.26720497  1
  C     0.80923468  1   1.51347604  1   2.40061250  1
  C     1.64068678  1   0.31456685  1   1.94232353  1
  C     0.86780830  1  -0.70680711  1   1.04845386  1
  C     0.03727846  1  -1.66349651  1   1.90280251  1
  C     2.00331561  1  -1.46575192  1   0.31236792  1
  C     3.14929803  1  -0.48665763  1   0.23139342  1
  C     2.88113611  1   0.70576364  1   1.11777521  1
  O     4.13319358  1  -0.63413820  1  -0.44068273  1
  H     0.61202291  1   0.42731309  1  -0.79579390  1
  H    -0.66026495  1  -0.76234915  1  -0.50335407  1
  H    -1.52106550  1   1.55269023  1  -0.17524341  1
  H    -1.59308133  1   0.66642443  1   1.34930139  1
  H    -0.61647440  1   2.97879838  1   1.66038509  1
  H     0.67322243  1   2.60139781  1   0.51632333  1
  H     0.11798413  1   1.18920706  1   3.20392093  1
  H     1.47181997  1   2.27087125  1   2.86196205  1
  H     1.98895138  1  -0.22626450  1   2.85706715  1
  H     0.64889130  1  -2.18674853  1   2.64565163  1
  H    -0.74961974  1  -1.12585162  1   2.44572032  1
  H    -0.45257018  1  -2.42551520  1   1.28649007  1
  H     2.31840686  1  -2.36989216  1   0.86505233  1
  H     1.69967334  1  -1.82804994  1  -0.68321784  1
  H     2.69870003  1   1.60415485  1   0.49881772  1
  H     3.75107225  1   0.95051200  1   1.74859360  1