Accuracy

bicycle(3.3.1)nonan-9-one -check -3-one    857 Bicycle[3.3.1]nonan-9-one -check -3-one

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    #  Species Formula
   847 tert-Butyl etherC8H18O
   848 tert-Butyl isobutyl etherC8H18O
   849 3,4-Dihydro-1H-2-benzopyranC9H10O
   850 3,4-Dihydro-2H-1-benzopyranC9H10O
   851 Benzyl methyl ketoneC9H10O
   852 2(-1-Methylethyl)-phenolC9H12O
   853 2,4,6-Trimethyl phenolC9H12O
   854 3(-1-Methylethyl)-phenolC9H12O
   855 4-(-1-Methylethyl)-phenolC9H12O
   856 2,6,6-Trimethyl-2-cyclohexen-1-oneC9H14O
   857 Bicycle[3.3.1]nonan-9-one -check -3-one C9H14O
   858 cis Octahydro-2H-inden-2-oneC9H14O
   859 trans Octahydro-2H-inden-2-oneC9H14O
   860 CyclononanoneC9H16O
   861 2,6-Dimethyl-4-heptanoneC9H18O
   862 2-NonanoneC9H18O
   863 3,3,4,4-Tetramethyl-2-pentanoneC9H18O
   864 5-NonanoneC9H18O
   865 Di-tert-butyl ketoneC9H18O
   866 1-NonanolC9H20O
   867 Amyl-t-butyl etherC9H20O


ΔHf: -57.3 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
Bicycle[3.3.1]nonan-9-one -check -3-one
 H=-57.3 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53916236 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53576117 +1  111.9698888 +1    0.0000000 +0     2     1     0
  C     1.53576097 +1  111.9413418 +1   53.0380472 +1     3     2     1
  C     1.53933576 +1  112.0186100 +1  -52.9658928 +1     4     3     2
  C     1.54118809 +1  112.8991659 +1  -63.7163692 +1     5     4     3
  C     1.53645781 +1  111.8234787 +1  116.7834218 +1     6     5     4
  C     1.53612369 +1  111.9799807 +1  -53.2502339 +1     7     6     5
  C     1.51583988 +1  106.6057993 +1  119.3036223 +1     5     4     6
  O     1.20262318 +1  123.0642061 +1  116.0336276 +1     9     5     4
  H     1.10554834 +1  109.8226292 +1 -122.5089736 +1     2     1     3
  H     1.10802378 +1  109.3244475 +1 -115.5990008 +1     2     1    11
  H     1.10703876 +1  109.6806862 +1 -122.0780077 +1     3     2     4
  H     1.10606092 +1  109.7817907 +1 -115.7873199 +1     3     2    13
  H     1.10549436 +1  110.0441863 +1 -122.4582509 +1     4     3     5
  H     1.10818012 +1  109.7075246 +1 -115.9701758 +1     4     3    15
  H     1.10579766 +1  109.8693461 +1  121.8084166 +1     6     5     7
  H     1.10590664 +1  110.2760832 +1  115.9167317 +1     6     5    17
  H     1.10609980 +1  109.4504206 +1  175.0488378 +1     8     7     6
  H     1.10563022 +1  109.7536019 +1  115.4810704 +1     8     7    19
  H     1.11537015 +1  109.2268740 +1 -174.2762098 +1     1     2     3
  H     1.11511874 +1  109.1898850 +1  118.5621668 +1     5     4     9
  H     1.10874339 +1  109.6749171 +1  122.1900886 +1     7     6     8
  H     1.10568121 +1  109.8003199 +1  115.5857476 +1     7     6    23