PM7 Accuracy

dibenzofuran    907 Dibenzofuran

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    #  Species Formula
   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 CycloundecanoneC11H20O
   904 2,2,6,6-Tetramethyl-4-heptanoneC11H22O
   905 Dipentyl ketoneC11H22O
   906 Decyl methyl etherC11H24O
   907 Dibenzofuran C12H8O
   908 m-HydroxybiphenylC12H10O
   909 o-HydroxybiphenylC12H10O
   910 p-HydroxybiphenylC12H10O
   911 Isobutyl phenyl ketoneC12H16O
   912 2,6-DiisopropylphenolC12H18O
   913 BenzophenoneC13H10O
   914 AnthoneC14H10O
   915 1,1'-DiadamantylketoneC21H30O
   916 Nitric oxide, cationNO
   917 Nitric oxideNO


DHf: 11.3 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
Dibenzofuran
 H=11.3 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39712493  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39850143  1  121.5509896  1    0.0000000  0     2     1     0
  C     1.39730934  1  121.5727179  1    0.0009821  1     3     2     1
  C     1.38510471  1  118.1439458  1    0.0056395  1     4     3     2
  C     1.38165445  1  115.9601781  1    0.0006108  1     1     2     3
  O     1.38944023  1  124.2705864  1  179.9910104  1     6     1     2
  C     1.38933647  1  105.0877370  1  179.9994186  1     7     6     1
  C     1.38165790  1  124.2829319  1  179.9937135  1     8     7     6
  C     1.39716998  1  115.9408161  1  179.9975091  1     9     8     7
  C     1.39859285  1  121.5625394  1   -0.0006118  1    10     9     8
  C     1.39736320  1  121.5818701  1    0.0014526  1    11    10     9
  C     1.44847345  1  135.4994283  1 -179.9952343  1     5     4     3
  H     1.08481054  1  122.1285195  1 -179.9950672  1     1     2     3
  H     1.09000166  1  119.1109236  1 -179.9961443  1     2     1     6
  H     1.08840045  1  119.1974612  1  179.9940649  1     3     2     1
  H     1.08723169  1  120.9972429  1 -179.9975098  1     4     3     2
  H     1.08480156  1  121.9370409  1    0.0040862  1     9     8     7
  H     1.08999399  1  119.1013658  1  179.9983678  1    10     9     8
  H     1.08840314  1  119.2007642  1  179.9988220  1    11    10     9
  H     1.08723699  1  120.9945776  1 -179.9986160  1    12    11    10