PM7 Accuracy

benzofuran    808 Benzofuran

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    #  Species Formula
   798 cis-1,2-EpoxycycloheptaneC7H12O
   799 CycloheptanoneC7H12O
   800 2,4-Dimethyl 3-pentanoneC7H14O
   801 2-Methyl cis-cyclohexanolC7H14O
   802 3,3-Dimethyl-2-pentanoneC7H14O
   803 4-HeptanoneC7H14O
   804 HeptanalC7H14O
   805 t-Butyl ethyl ketoneC7H14O
   806 n-HeptanolC7H16O
   807 t-Butyl isopropyl etherC7H16O
   808 Benzofuran C8H6O
   809 1,3-Dihydro isobenzofuranC8H8O
   810 1-PhenylethenolC8H8O
   811 2,3-Dihydro-benzofuranC8H8O
   812 AcetophenoneC8H8O
   813 2,3-Dimethyl phenolC8H10O
   814 2,4-Dimethyl phenolC8H10O
   815 2,5-Dimethyl phenolC8H10O
   816 2,6-Dimethyl phenolC8H10O
   817 2-Ethyl phenolC8H10O
   818 3,4-Dimethyl phenolC8H10O


DHf: 3.3 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
Benzofuran
 H=3.3 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39199789  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.40467844  1  121.5321152  1    0.0000000  0     2     1     0
  C     1.39184770  1  121.7561264  1   -0.0001156  1     3     2     1
  C     1.39103608  1  118.0504649  1    0.0006121  1     4     3     2
  C     1.38603990  1  115.7978872  1    0.0017682  1     1     2     3
  O     1.38236162  1  125.6926124  1  179.9995208  1     6     1     2
  C     1.39116098  1  105.6277738  1 -179.9997220  1     7     6     1
  H     1.06739047  1  112.1258028  1  179.9981133  1     8     7     6
  H     2.19538155  1  134.5968629  1  179.9981614  1     8     7     9
  C     1.06898373  1   28.9096296  1   -0.0011535  1    10     8     7
  H     1.08448919  1  122.3487323  1  179.9987705  1     1     2     6
  H     1.08982425  1  119.4013120  1  179.9984948  1     2     1     3
  H     1.08894266  1  118.8232639  1 -179.9994494  1     3     2     4
  H     1.08679237  1  121.2254074  1  179.9995052  1     4     3     5