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

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

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


ΔHf: -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