Accuracy

bicyclo(2.2.2)octanone    823 Bicyclo[2.2.2]octanone

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    #  Species Formula
   813 2,6-Dimethyl phenolC8H10O
   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]octanone C8H12O
   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-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


ΔHf: -52.2 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[2.2.2]octanone
 H=-52.2 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53871544 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54222895 +1  110.1109423 +1    0.0000000 +0     2     1     0
  C     1.54215450 +1  110.0412873 +1   -0.7900761 +1     3     2     1
  C     1.53795618 +1  108.8894259 +1  -59.1385571 +1     4     3     2
  C     1.50833246 +1  108.2405656 +1   59.3533395 +1     5     4     3
  C     1.53879289 +1  109.9131631 +1  -58.2182969 +1     1     2     3
  C     1.54231819 +1  110.1066850 +1   58.1108020 +1     7     1     2
  O     1.20277469 +1  123.2648090 +1  179.9915313 +1     6     5     4
  H     1.11135673 +1  110.6999888 +1 -122.6128586 +1     1     2     7
  H     1.10445863 +1  109.6487355 +1  121.7396559 +1     2     1     3
  H     1.10494187 +1  110.0756651 +1  116.1070278 +1     2     1    11
  H     1.10384053 +1  110.3760630 +1  121.4275328 +1     3     2     4
  H     1.10375225 +1  110.4723596 +1  116.8158220 +1     3     2    13
  H     1.11081398 +1  109.9753064 +1 -120.7160304 +1     4     3     5
  H     1.10644682 +1  111.4795907 +1 -121.3219569 +1     5     4     6
  H     1.10654109 +1  111.4529250 +1 -117.4258840 +1     5     4    16
  H     1.10446853 +1  109.6479419 +1 -121.7266947 +1     7     1     8
  H     1.10495186 +1  110.0877402 +1 -116.1112149 +1     7     1    18
  H     1.10386339 +1  110.3757903 +1 -120.4581932 +1     8     7     1
  H     1.10375835 +1  110.4538126 +1 -116.7940640 +1     8     7    20