PM7 Accuracy

cis-1,2-epoxycyclooctane    836 cis-1,2-Epoxycyclooctane

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    #  Species Formula
   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-olC8H14O
   836 cis-1,2-Epoxycyclooctane C8H14O
   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
   846 2-(1,1-Dimethylethoxy)-butaneC8H18O


DHf: -39.5 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-1,2-Epoxycyclooctane
 H=-39.5 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.50662307  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53677785  1  109.6334634  1    0.0000000  0     2     1     0
  C     1.53578934  1  113.9803584  1  115.6019809  1     3     2     1
  C     1.53598166  1  115.2974337  1  -44.5717514  1     4     3     2
  C     1.53759518  1  114.3971596  1  -46.7660578  1     5     4     3
  C     1.53798378  1  112.4953989  1  107.9733154  1     6     5     4
  C     1.49582890  1  122.5325119  1  -79.9601816  1     1     2     3
  H     1.09577606  1  118.3105390  1  154.5637507  1     8     1     2
  O     1.42969983  1  116.8671501  1  -68.3841819  1     1     2     8
  H     1.10777384  1  110.5789258  1  123.0791008  1     2     1     3
  H     1.10741674  1  109.9186661  1  115.0960543  1     2     1    11
  H     1.10805741  1  109.9614042  1 -122.8321785  1     3     2     4
  H     1.10722201  1  109.5962617  1 -114.9847638  1     3     2    13
  H     1.10776908  1  108.5965425  1 -122.9017105  1     4     3     5
  H     1.10824521  1  109.1777629  1 -114.7130075  1     4     3    15
  H     1.10811442  1  108.4337068  1 -122.1946667  1     5     4     6
  H     1.10734625  1  109.3992008  1 -113.7383868  1     5     4    17
  H     1.10526965  1  110.4049404  1 -123.5976637  1     6     5     7
  H     1.10681080  1  109.2362755  1 -115.0838274  1     6     5    19
  H     1.11045279  1  110.7185568  1   22.3696101  1     7     6     5
  H     1.10886168  1  109.7149513  1  114.9073468  1     7     6    21
  H     1.09636797  1  114.3871888  1 -135.6906725  1     1     2    10