Accuracy

bicyclo(3.2.1)octan-2-one    824 Bicyclo[3.2.1]octan-2-one

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    #  Species Formula
   814 2-Ethyl phenolC8H10O
   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-one C8H12O
   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]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


ΔHf: -52.0 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
Bicyclo[3.2.1]octan-2-one
 H=-52.0 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53904949 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54854862 +1  111.3388289 +1    0.0000000 +0     2     1     0
  C     1.54687640 +1  105.7259390 +1   90.0919106 +1     3     2     1
  C     1.54475405 +1  105.3391664 +1   -1.3342047 +1     4     3     2
  C     1.53546409 +1  112.4994722 +1  -55.8053702 +1     1     2     3
  C     1.53946739 +1  103.7270285 +1   28.2278950 +1     5     4     3
  H     1.10753528 +1  109.1710371 +1 -122.0391704 +1     1     2     6
  H     1.10605526 +1  109.9718599 +1 -115.4001087 +1     1     2     8
  H     1.10570693 +1  110.1296447 +1 -124.0873720 +1     2     1     3
  H     1.09948027 +1  111.5664206 +1 -121.7332865 +1     3     2     4
  H     1.10105030 +1  110.6585448 +1 -118.1352356 +1     3     2    11
  H     1.10218363 +1  111.0296773 +1  119.5453976 +1     4     3     5
  H     1.10035818 +1  112.0015860 +1  118.4717403 +1     4     3    13
  H     1.10617077 +1  112.5339955 +1  122.7414902 +1     5     4     7
  H     1.09891112 +1  113.1238134 +1 -164.9241886 +1     7     5     4
  H     1.10075922 +1  111.4783565 +1 -120.2959441 +1     7     5    16
  C     1.51267293 +1  113.6689716 +1  -34.2652235 +1     6     1     2
  O     1.20507832 +1  121.1388189 +1 -147.6724025 +1    18     6     1
  H     1.10939254 +1  110.2469104 +1 -123.4319621 +1     6     1    18
  H     1.11068803 +1  110.1720424 +1 -115.7205007 +1     6     1    20