PM7 Accuracy

norbornan-7-one    795 Norbornan-7-one

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    #  Species Formula
   785 Methyl neopentyl ketoneC6H12O
   786 Di-isopropyl etherC6H14O
   787 BenzaldehydeC7H6O
   788 AnisoleC7H8O
   789 m-CresolC7H8O
   790 o-CresolC7H8O
   791 p-CresolC7H8O
   792 2-Methyl-5-hexen-3-yn-2-olC7H10O
   793 2-NorbornanoneC7H10O
   794 cis-2,3-Epoxybicyclo[2.2.1]heptaneC7H10O
   795 Norbornan-7-one C7H10O
   796 1-Methoxy cyclohexeneC7H12O
   797 Bicyclo[2.2.1]heptan-7-olC7H12O
   798 cis-1,2-EpoxycycloheptaneC7H12O
   799 CycloheptanoneC7H12O
   800 2,4-Dimethyl 3-pentanoneC7H14O
   801 2-Methyl cis-cyclohexanolC7H14O
   802 3,3-Dimethyl-2-pentanoneC7H14O
   803 4-HeptanoneC7H14O
   804 HeptanalC7H14O
   805 t-Butyl ethyl ketoneC7H14O


DHf: -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