PM7 Accuracy

cycloundecanone    903 Cycloundecanone

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    #  Species Formula
   893 Octahydro-3a-methyl-trans-2H-inden-2-oneC10H16O
   894 Beta-caran-3-olC10H18O
   895 CyclodecanoneC10H18O
   896 2,2,5,5-Tetramethyl-3-hexanoneC10H20O
   897 DecanolC10H22O
   898 Dipentyl etherC10H22O
   899 2,4,5-Trimethyl-acetophenoneC11H14O
   900 2,4,6-Trimethyl-acetophenoneC11H14O
   901 2-tert-Butyl-p-cresolC11H16O
   902 3-Methyl-2-phenylbutane-2-olC11H16O
   903 Cycloundecanone C11H20O
   904 2,2,6,6-Tetramethyl-4-heptanoneC11H22O
   905 Dipentyl ketoneC11H22O
   906 Decyl methyl etherC11H24O
   907 DibenzofuranC12H8O
   908 m-HydroxybiphenylC12H10O
   909 o-HydroxybiphenylC12H10O
   910 p-HydroxybiphenylC12H10O
   911 Isobutyl phenyl ketoneC12H16O
   912 2,6-DiisopropylphenolC12H18O
   913 BenzophenoneC13H10O


DHf: -77.0 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
Cycloundecanone
 H=-76.96 HR=NIST
  C    -0.03219546  1   0.10971161  1   0.00661526  1
  C     1.49489271  1   0.05742787  1  -0.16334065  1
  C     2.17153857  1   1.43420794  1  -0.08873542  1
  C     1.72943388  1   2.41409020  1  -1.18477252  1
  C     2.06586816  1   1.90807694  1  -2.59322067  1
  C     1.26089824  1   2.64705078  1  -3.67472601  1
  C     0.93966534  1   1.73614605  1  -4.87074436  1
  C    -0.41789417  1   1.02254397  1  -4.75819553  1
  C    -0.46462445  1  -0.06364005  1  -3.67336843  1
  C    -1.03585914  1   0.46817112  1  -2.35140750  1
  C    -0.69292162  1  -0.47276263  1  -1.22366192  1
  O    -0.93145938  1  -1.65254964  1  -1.29606908  1
  H    -0.33542430  1  -0.47694978  1   0.89803691  1
  H    -0.37910827  1   1.13958011  1   0.20014889  1
  H     1.76273206  1  -0.43883289  1  -1.11781233  1
  H     1.92676269  1  -0.59614260  1   0.62149187  1
  H     3.26928416  1   1.29597489  1  -0.14348694  1
  H     1.97606529  1   1.88644040  1   0.90293751  1
  H     2.21216701  1   3.39596682  1  -1.01864093  1
  H     0.64341698  1   2.60331475  1  -1.09371610  1
  H     3.14796152  1   2.01431672  1  -2.78688184  1
  H     1.86394723  1   0.82084107  1  -2.65635874  1
  H     1.83017821  1   3.53072208  1  -4.01805817  1
  H     0.32309791  1   3.05687577  1  -3.25762794  1
  H     0.94011769  1   2.34413277  1  -5.79720541  1
  H     1.74567506  1   0.99218299  1  -5.01083818  1
  H    -0.65171007  1   0.55850242  1  -5.73779412  1
  H    -1.21749524  1   1.76690674  1  -4.59054282  1
  H    -1.08022705  1  -0.92040703  1  -4.01483865  1
  H     0.54629302  1  -0.48503827  1  -3.51378584  1
  H    -2.13796108  1   0.56230648  1  -2.42478420  1
  H    -0.65565968  1   1.48844175  1  -2.15467937  1