PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

octahydro-3a-methyl-cis-2h-inden-2-one    891 Octahydro-3a-methyl-cis-2H-inden-2-one

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    #  Species Formula
   881 4-Isopropyl-3-methylphenolC10H14O
   882 4-Methyl-3-isopropylphenolC10H14O
   883 m-tert-ButylphenolC10H14O
   884 o-sec-ButylphenolC10H14O
   885 o-tert-ButylphenolC10H14O
   886 p-sec-ButylphenolC10H14O
   887 p-tert-Butyl phenolC10H14O
   888 1-AdamantolC10H16O
   889 2-AdamantolC10H16O
   890 CamphorC10H16O
   891 Octahydro-3a-methyl-cis-2H-inden-2-one C10H16O
   892 Octahydro-3a-methyl-trans-2H-inden-2-oneC10H16O
   893 Beta-caran-3-olC10H18O
   894 CyclodecanoneC10H18O
   895 2,2,5,5-Tetramethyl-3-hexanoneC10H20O
   896 DecanolC10H22O
   897 Dipentyl etherC10H22O
   898 2,4,5-Trimethyl-acetophenoneC11H14O
   899 2,4,6-Trimethyl-acetophenoneC11H14O
   900 2-tert-Butyl-p-cresolC11H16O
   901 3-Methyl-2-phenylbutane-2-olC11H16O


ΔHf: -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