Accuracy

bicyclo(3.2.1)octan-8-one    826 Bicyclo[3.2.1]octan-8-one

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    #  Species Formula
   816 3,5-Dimethyl phenolC8H10O
   817 3-Ethyl phenolC8H10O
   818 4-Ethyl phenolC8H10O
   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-one C8H12O
   827 cis-Bicyclo[3.3.0]-octan-2-oneC8H12O
   828 trans-Bicyclo[3.3.0]-octan-2-oneC8H12O
   829 3-Oxabicyclo[3,2,2]nonaneC8H14O
   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


ΔHf: -46.2 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
Bicyclo[3.2.1]octan-8-one
 H=-46.2 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53974168 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54304998 +1  112.3559868 +1    0.0000000 +0     2     1     0
  C     1.55376799 +1  106.0740206 +1   86.8325617 +1     3     2     1
  C     1.54303645 +1  106.0830192 +1   -0.2379250 +1     4     3     2
  C     1.54072058 +1  111.8098634 +1  -51.0254124 +1     1     2     3
  C     1.52098572 +1  104.7056081 +1  110.2121060 +1     2     1     3
  H     1.10780032 +1  109.2981291 +1 -122.0131657 +1     1     2     6
  H     1.10514538 +1  109.8565446 +1 -115.8277522 +1     1     2     8
  H     1.10482588 +1  111.1640797 +1  122.7352342 +1     2     1     7
  H     1.09999664 +1  111.4226203 +1 -121.4584839 +1     3     2     4
  H     1.10176996 +1  110.7745151 +1 -118.2286694 +1     3     2    11
  H     1.10188736 +1  110.7807482 +1  120.3351095 +1     4     3     5
  H     1.10003961 +1  111.4121136 +1  118.1942575 +1     4     3    13
  H     1.10449932 +1  112.4887572 +1  147.2783187 +1     5     4     3
  O     1.19567220 +1  127.6618170 +1  103.7175710 +1     7     2     1
  H     2.17696264 +1  140.6950897 +1  -34.3267451 +1     6     1     2
  C     1.10502865 +1   41.7768957 +1  -19.8792406 +1    17     6     1
  H     1.10766328 +1  106.0344218 +1 -118.6419883 +1    18    17     6
  H     1.10576915 +1  109.5237146 +1 -132.7970035 +1     6     1    17
  H     1.10700456 +1  109.1790292 +1 -115.4308161 +1     6     1    20