Accuracy

cis-bicyclo(3.3.0)-octan-2-one    827 cis-Bicyclo[3.3.0]-octan-2-one

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    #  Species Formula
   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-oneC8H12O
   827 cis-Bicyclo[3.3.0]-octan-2-one C8H12O
   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
   837 3,3,4-Trimethyl pentan-2-oneC8H16O


ΔHf: -55.0 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
cis-Bicyclo[3.3.0]-octan-2-one
 H=-55.0 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.54946681 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54283413 +1  106.9124399 +1    0.0000000 +0     1     2     0
  C     1.53358776 +1  107.0535964 +1  -19.2465822 +1     3     1     2
  C     1.51073528 +1  106.2489361 +1   14.4368280 +1     4     3     1
  O     1.20074848 +1  124.2835157 +1  175.9663508 +1     5     4     3
  C     1.53723276 +1  107.6420258 +1  135.8303551 +1     2     1     3
  C     1.53972114 +1  105.5312404 +1 -120.8785191 +1     1     2     3
  C     1.53718420 +1  105.3261283 +1  -27.6613101 +1     8     1     2
  H     1.10804862 +1  110.8163241 +1 -118.7642795 +1     1     2     8
  H     1.10966344 +1  111.6308152 +1  121.9612174 +1     2     1     7
  H     1.10178708 +1  111.4039933 +1 -122.4935807 +1     3     1     4
  H     1.10426556 +1  110.2420083 +1 -117.0620558 +1     3     1    12
  H     1.10647959 +1  111.9977950 +1 -119.7220728 +1     4     3     5
  H     1.10432943 +1  112.5453230 +1 -118.6550217 +1     4     3    14
  H     1.10550935 +1  111.0524259 +1 -117.4206906 +1     7     2     1
  H     1.10190124 +1  111.3494475 +1 -117.4433345 +1     7     2    16
  H     1.09956710 +1  111.8704417 +1 -121.9730387 +1     8     1     9
  H     1.10386596 +1  110.9000480 +1 -118.6271502 +1     8     1    18
  H     1.10326127 +1  110.6362042 +1  -89.7877479 +1     9     8     1
  H     1.10079695 +1  111.6401985 +1 -118.2755617 +1     9     8    20