PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

dibenzofuran    906 Dibenzofuran

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    #  Species Formula
   896 DecanolC10H22O
   897 Dipentyl etherC10H22O
   898 2,4,5-Trimethyl-acetophenoneC11H14O
   899 2,4,6-Trimethyl-acetophenoneC11H14O
   900 2-tert-Butyl-p-cresolC11H16O
   901 3-Methyl-2-phenylbutane-2-olC11H16O
   902 CycloundecanoneC11H20O
   903 2,2,6,6-Tetramethyl-4-heptanoneC11H22O
   904 Dipentyl ketoneC11H22O
   905 Decyl methyl etherC11H24O
   906 Dibenzofuran C12H8O
   907 m-HydroxybiphenylC12H10O
   908 o-HydroxybiphenylC12H10O
   909 p-HydroxybiphenylC12H10O
   910 Isobutyl phenyl ketoneC12H16O
   911 2,6-DiisopropylphenolC12H18O
   912 BenzophenoneC13H10O
   913 AnthoneC14H10O
   914 1,1'-DiadamantylketoneC21H30O
   915 Nitric oxide, cationNO
   916 Nitric oxideNO


ΔHf: 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