PM7 Accuracy

bicyclo(2.2.2)octan-2-ol    835 Bicyclo(2.2.2)octan-2-ol

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    #  Species Formula
   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)]octaneC8H14O
   835 Bicyclo(2.2.2)octan-2-ol C8H14O
   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
   845 1-Tert-butoxybutaneC8H18O


DHf: -68.0 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(2.2.2)octan-2-ol
 H=-68 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53873754  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54176507  1  109.7655804  1    0.0000000  0     2     1     0
  C     1.54187608  1  109.9742516  1   -0.3003440  1     3     2     1
  C     1.53829986  1  109.1002851  1  -59.6988135  1     4     3     2
  C     1.54596531  1  107.6860075  1   60.1575803  1     1     2     3
  C     1.53869352  1  109.2653631  1 -119.4113054  1     1     2     6
  C     1.54110214  1  109.1369102  1  119.2504200  1     4     3     5
  O     1.40952605  1  110.5922656  1  175.8020782  1     6     1     2
  H     1.10314453  1  110.0757571  1  178.7873979  1     8     4     3
  H     1.10382144  1  109.8943817  1 -116.3636904  1     8     4    10
  H     1.11085732  1  110.6162341  1 -121.1533810  1     1     2     7
  H     1.10376533  1  110.2463464  1 -122.0179080  1     2     1     3
  H     1.10396024  1  109.8687770  1 -116.3726684  1     2     1    13
  H     1.10345970  1  110.4635530  1 -121.5851642  1     3     2     4
  H     1.10350170  1  110.3851987  1 -116.9802650  1     3     2    15
  H     1.11128317  1  109.7923869  1  120.3457176  1     4     3     8
  H     1.10479558  1  110.7799830  1  179.8706886  1     5     4     3
  H     1.10299817  1  110.4388671  1  116.5798860  1     5     4    18
  H     1.11189203  1  111.4364623  1 -112.2558286  1     6     1     9
  H     1.10376118  1  110.2798668  1 -177.8733372  1     7     1     2
  H     1.10442350  1  109.7274993  1  116.0040595  1     7     1    21
  H     0.97629581  1  111.2958507  1   60.3127985  1     9     6     1