Accuracy

bicyclo(3.2.1)octan-3-one    825 Bicyclo[3.2.1]octan-3-one

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    #  Species Formula
   815 3,4-Dimethyl phenolC8H10O
   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-one C8H12O
   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]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


ΔHf: -52.9 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-3-one
 H=-52.9 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53374123 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54860095 +1  110.5770371 +1    0.0000000 +0     2     1     0
  C     1.54539501 +1  105.5917432 +1   88.9543432 +1     3     2     1
  C     1.54868669 +1  105.6141913 +1    0.0708348 +1     4     3     2
  C     1.51264466 +1  112.6981552 +1  -62.2320667 +1     1     2     3
  C     1.54233814 +1  108.5598739 +1  112.9028007 +1     2     1     3
  O     1.20755855 +1  119.9138649 +1  155.8400448 +1     6     1     2
  H     1.10927103 +1  110.4387394 +1 -121.4519347 +1     1     2     6
  H     1.10952989 +1  110.6252973 +1 -115.7722652 +1     1     2     9
  H     1.10596059 +1  110.2721224 +1  123.3865885 +1     2     1     7
  H     1.10012826 +1  111.7204896 +1 -121.5916284 +1     3     2     4
  H     1.10087050 +1  110.6933887 +1 -118.2348121 +1     3     2    12
  H     1.10090379 +1  110.9639401 +1  119.9870056 +1     4     3     5
  H     1.10013210 +1  111.6664419 +1  118.3889207 +1     4     3    14
  H     1.10606519 +1  111.4392561 +1  147.9094493 +1     5     4     3
  H     1.09732745 +1  113.1294642 +1   47.1508392 +1     7     2     1
  H     1.10055940 +1  111.5383502 +1  120.3122930 +1     7     2    17
  C     1.51239743 +1  120.0544350 +1  177.8226311 +1     6     1     8
  H     1.10958252 +1  109.3563306 +1  149.8015348 +1    19     6     1
  H     1.10926112 +1  108.4582926 +1  114.0333460 +1    19     6    20