Accuracy

norbornan-7-one    792 Norbornan-7-one

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    #  Species Formula
   782 Methyl neopentyl ketoneC6H12O
   783 Di-isopropyl etherC6H14O
   784 BenzaldehydeC7H6O
   785 AnisoleC7H8O
   786 m-CresolC7H8O
   787 o-CresolC7H8O
   788 p-CresolC7H8O
   789 2-Methyl-5-hexen-3-yn-2-olC7H10O
   790 2-NorbornanoneC7H10O
   791 cis-2,3-Epoxybicyclo[2.2.1]heptaneC7H10O
   792 Norbornan-7-one C7H10O
   793 1-Methoxy cyclohexeneC7H12O
   794 Bicyclo[2.2.1]heptan-7-olC7H12O
   795 cis-1,2-EpoxycycloheptaneC7H12O
   796 CycloheptanoneC7H12O
   797 2,4-Dimethyl 3-pentanoneC7H14O
   798 2-Methyl cis-cyclohexanolC7H14O
   799 3,3-Dimethyl-2-pentanoneC7H14O
   800 4-HeptanoneC7H14O
   801 HeptanalC7H14O
   802 t-Butyl ethyl ketoneC7H14O


ΔHf: -32.0 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
Norbornan-7-one
 H=-32.0 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.54882568 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.56045452 +1  104.1065871 +1    0.0000000 +0     2     1     0
  C     1.54877436 +1  104.0650532 +1   -0.0229742 +1     3     2     1
  C     1.54832006 +1  108.6089748 +1   69.5866112 +1     4     3     2
  C     1.54829548 +1  108.5976389 +1  -69.5381675 +1     1     2     3
  C     1.53480010 +1   99.4350776 +1  103.4914158 +1     1     2     6
  H     1.09168846 +1  115.0105238 +1  125.9566423 +1     1     2     7
  H     1.10015578 +1  111.3074831 +1 -120.1126057 +1     2     1     3
  H     1.09838404 +1  111.6979854 +1 -119.1812011 +1     2     1     9
  H     1.09166185 +1  115.0089813 +1  130.6112236 +1     4     3     5
  H     1.10023710 +1  111.3135515 +1  170.3859257 +1     5     4     3
  H     1.09839787 +1  111.7213378 +1 -119.2399518 +1     5     4    12
  H     1.10022082 +1  111.3179167 +1 -170.3981925 +1     6     1     2
  H     1.09837173 +1  111.7225087 +1  119.2432988 +1     6     1    14
  O     1.18973283 +1  131.0625387 +1  124.3710907 +1     7     1     2
  H     1.10013831 +1  111.3987415 +1 -120.0263890 +1     3     2     4
  H     1.09837485 +1  111.7088807 +1 -119.2980237 +1     3     2    17