PM7 Accuracy

   834 8-Oxatricyclo[3,2,1,0(1,5)]octane

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    #  Species Formula
   824 PhenetoleC8H10O
   825 1-MethylnorcamphorC8H12O
   826 Bicyclo[2.2.2]octanoneC8H12O
   827 Bicyclo[3.2.1]octan-2-oneC8H12O
   828 Bicyclo[3.2.1]octan-3-oneC8H12O
   829 Bicyclo[3.2.1]octan-8-oneC8H12O
   830 cis-Bicyclo[3.3.0]-octan-2-oneC8H12O
   831 trans-Bicyclo[3.3.0]-octan-2-oneC8H12O
   832 3-Oxabicyclo[3,2,2]nonaneC8H14O
   833 6-Methyl-5-hepten-2-oneC8H14O
   834 8-Oxatricyclo[3,2,1,0(1,5)]octane C8H14O
   835 Bicyclo(2.2.2)octan-2-olC8H14O
   836 cis-1,2-EpoxycyclooctaneC8H14O
   837 CyclooctanoneC8H14O
   838 2,2,4-Trimethyl-3-pentanoneC8H16O
   839 2-OctanoneC8H16O
   840 3,3,4-Trimethyl pentan-2-oneC8H16O
   841 3-OctanoneC8H16O
   842 4-OctanoneC8H16O
   843 OctanalC8H16O
   844 1-OctanolC8H18O



DHf: 6.4 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.

  

8-Oxatricyclo[3,2,1,0(1,5)]octane
 H=6.4 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0                     0.0000
  C     1.54371374  1    0.0000000  0    0.0000000  0     1     0     0   0.0000
  C     1.60470081  1  104.6331419  1    0.0000000  0     2     1     0   0.0000
  C     1.60474351  1  121.8751577  1   31.1620444  1     3     2     1   0.0000
  C     1.54355076  1  104.6333963  1  -31.1220179  1     4     3     2   0.0000
  C     1.54352183  1  151.4727301  1  151.3615489  1     5     4     3   0.0000
  C     1.60460730  1  104.6054661  1 -151.4206878  1     6     5     4   0.0000
  C     1.54360460  1  151.4555298  1 -151.2657650  1     1     2     3   0.0000
  O     1.45396170  1   91.9430208  1   97.6341606  1     1     2     8   0.0000
  H     1.13548108  1  101.9633020  1  115.9321555  1     1     2     9   0.0000
  H     1.09591913  1  113.8567875  1 -119.6995150  1     2     1     3   0.0000
  H     1.10076244  1  110.9559490  1 -122.4615659  1     2     1    11   0.0000
  H     1.10123579  1  106.8820939  1 -123.1450824  1     3     2     4   0.0000
  H     1.10076894  1  106.4982451  1 -114.6673896  1     3     2    13   0.0000
  H     1.09608297  1  109.6333544  1 -122.4993832  1     4     3     5   0.0000
  H     1.10076663  1  109.3060389  1 -118.5231543  1     4     3    15   0.0000
  H     1.13556558  1  101.9080597  1  146.3050780  1     5     4     6   0.0000
  H     1.09594525  1  113.8901978  1 -119.6838266  1     6     5     7   0.0000
  H     1.10081217  1  110.9666863  1 -122.4985936  1     6     5    18   0.0000
  H     1.10130753  1  106.9258906  1  -91.9958417  1     7     6     5   0.0000
  H     1.10088725  1  106.4668064  1 -114.6468101  1     7     6    20   0.0000
  H     1.09592756  1  113.8803629  1  -89.0931438  1     8     1     2   0.0000
  H     1.10077086  1  110.9857971  1  122.5162452  1     8     1    22   0.0000