Accuracy

2-norbornanone    790 2-Norbornanone

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    #  Species Formula
   780 4-Methyl-3-penten-2-oneC6H10O
   781 CyclohexanoneC6H10O
   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-Norbornanone C7H10O
   791 cis-2,3-Epoxybicyclo[2.2.1]heptaneC7H10O
   792 Norbornan-7-oneC7H10O
   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


ΔHf: -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