PM7 Accuracy

octahydro-3a-methyl-trans-2h-inden-2-one    893 Octahydro-3a-methyl-trans-2H-inden-2-one

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    #  Species Formula
   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-oneC10H16O
   893 Octahydro-3a-methyl-trans-2H-inden-2-one C10H16O
   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
   903 CycloundecanoneC11H20O


DHf: -65.8 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-trans-2H-inden-2-one
 H=-65.77 HR=NIST
  C    -0.00434004  1   0.00008838  1   0.00212941  1
  C     1.53582118  1   0.00890474  1   0.05721904  1
  C     2.14727253  1   1.42033315  1  -0.00586107  1
  C     1.58468675  1   2.26989489  1  -1.16228136  1
  C     0.06792198  1   2.25567326  1  -1.04558319  1
  C    -0.48810850  1   0.80505391  1  -1.20739121  1
  C    -0.06093418  1   0.11875752  1  -2.51133593  1
  C    -2.01111680  1   1.06385829  1  -1.28186584  1
  C    -2.11487134  1   2.39748589  1  -2.00097437  1
  C    -0.76020402  1   3.08525471  1  -2.03386685  1
  O    -3.12252685  1   2.84502679  1  -2.47250810  1
  H    -0.41740467  1   0.42084567  1   0.93739775  1
  H    -0.37269895  1  -1.04023925  1  -0.04892412  1
  H     1.86918953  1  -0.49112031  1   0.98625706  1
  H     1.93692381  1  -0.60344299  1  -0.77233628  1
  H     3.24551267  1   1.33943598  1  -0.10428468  1
  H     1.96719480  1   1.94270331  1   0.95294410  1
  H     1.92035682  1   1.87766746  1  -2.13768227  1
  H     1.97410368  1   3.30239022  1  -1.10263701  1
  H    -0.19046601  1   2.61065680  1  -0.01301324  1
  H    -0.40213313  1   0.67196226  1  -3.39245500  1
  H     1.02796171  1   0.02707193  1  -2.58926846  1
  H    -0.47522158  1  -0.89394097  1  -2.57459122  1
  H    -2.55969628  1   0.27017695  1  -1.81288486  1
  H    -2.47411090  1   1.12939533  1  -0.28247952  1
  H    -0.83361683  1   4.14767616  1  -1.75223382  1
  H    -0.34075608  1   3.07303779  1  -3.05441378  1