Accuracy

3-oxabicyclo(3,2,2)nonane    829 3-Oxabicyclo[3,2,2]nonane

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    #  Species Formula
   819 Benzyl alcoholC8H10O
   820 EthoxybenzeneC8H10O
   821 PhenetoleC8H10O
   822 1-MethylnorcamphorC8H12O
   823 Bicyclo[2.2.2]octanoneC8H12O
   824 Bicyclo[3.2.1]octan-2-oneC8H12O
   825 Bicyclo[3.2.1]octan-3-oneC8H12O
   826 Bicyclo[3.2.1]octan-8-oneC8H12O
   827 cis-Bicyclo[3.3.0]-octan-2-oneC8H12O
   828 trans-Bicyclo[3.3.0]-octan-2-oneC8H12O
   829 3-Oxabicyclo[3,2,2]nonane C8H14O
   830 6-Methyl-5-hepten-2-oneC8H14O
   831 8-Oxatricyclo[3,2,1,0(1,5)]octaneC8H14O
   832 Bicyclo(2.2.2)octan-2-olC8H14O
   833 cis-1,2-EpoxycyclooctaneC8H14O
   834 CyclooctanoneC8H14O
   835 2,2,4-Trimethyl-3-pentanoneC8H16O
   836 2-OctanoneC8H16O
   837 3,3,4-Trimethyl pentan-2-oneC8H16O
   838 3-OctanoneC8H16O
   839 4-OctanoneC8H16O


ΔHf: -53.2 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
3-Oxabicyclo[3,2,2]nonane
 H=-53.20 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53572379 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53688845 +1  113.1333751 +1    0.0000000 +0     2     1     0
  C     1.53566127 +1  113.1758310 +1    0.1789728 +1     3     2     1
  C     1.53524448 +1  110.7495220 +1   51.7102562 +1     1     2     3
  C     1.53531032 +1  110.6790101 +1  -51.9609940 +1     4     3     2
  C     1.53915667 +1  111.7911764 +1  123.7230391 +1     4     3     6
  O     1.41063862 +1  113.1422172 +1  -91.0287112 +1     7     4     3
  C     1.41078388 +1  114.8535434 +1   64.7214155 +1     8     7     4
  H     1.11888327 +1  107.8622446 +1  118.3737990 +1     1     2     5
  H     1.10545894 +1  109.7284849 +1  123.2385031 +1     2     1     3
  H     1.10715526 +1  108.8203347 +1  115.0386863 +1     2     1    11
  H     1.10543513 +1  109.9680118 +1  123.1063866 +1     3     2     4
  H     1.10721879 +1  109.3115618 +1  115.4566325 +1     3     2    13
  H     1.11879469 +1  107.9102360 +1  117.9036062 +1     4     3     7
  H     1.10728620 +1  109.0760166 +1 -173.7135384 +1     5     1     2
  H     1.10544387 +1  109.2533344 +1 -115.7341165 +1     5     1    16
  H     1.10535596 +1  109.2693019 +1  -70.5301222 +1     6     4     3
  H     1.10726016 +1  109.0776954 +1 -115.7445430 +1     6     4    18
  H     1.10710165 +1  111.2822602 +1 -113.1381865 +1     7     4     8
  H     1.10318546 +1  111.7690018 +1 -122.3842597 +1     7     4    20
  H     1.10735611 +1  101.1121100 +1  176.3049294 +1     9     8     7
  H     1.10291212 +1  109.7549989 +1 -115.3503919 +1     9     8    22