PM7 Accuracy

2-norbornanone    793 2-Norbornanone

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    #  Species Formula
   783 4-Methyl-3-penten-2-oneC6H10O
   784 CyclohexanoneC6H10O
   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-Norbornanone C7H10O
   794 cis-2,3-Epoxybicyclo[2.2.1]heptaneC7H10O
   795 Norbornan-7-oneC7H10O
   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


DHf: -40.8 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
2-Norbornanone
 H=-40.8 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.55046608  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.52413574  1  101.8680212  1    0.0000000  0     2     1     0
  C     1.53199144  1  106.7724750  1   -2.0696147  1     3     2     1
  C     1.55138175  1  104.8489141  1   72.3949440  1     4     3     2
  C     1.55269134  1  107.5650444  1  -69.5009613  1     1     2     3
  C     1.55256049  1  100.4258455  1 -105.3859417  1     4     3     5
  H     1.09171020  1  114.4387078  1 -128.4920975  1     1     2     6
  H     1.10112896  1  112.3675944  1 -119.1828669  1     2     1     3
  H     1.09968656  1  113.3341056  1 -120.4463781  1     2     1     9
  O     1.19601568  1  126.5459470  1  179.8506403  1     3     2     4
  H     1.09151618  1  115.2229796  1 -126.7388856  1     4     3     7
  H     1.09952820  1  110.8768786  1  169.8769392  1     5     4     3
  H     1.09952560  1  112.0490910  1 -119.0191386  1     5     4    13
  H     1.09918972  1  111.1253224  1 -169.8534129  1     6     1     2
  H     1.09785648  1  112.1084685  1  119.2484827  1     6     1    15
  H     1.09488549  1  113.9868672  1  -65.4483650  1     7     4     3
  H     1.09514475  1  113.4040402  1 -123.3709186  1     7     4    17