PM7 Accuracy

1,3-dihydro isobenzofuran    809 1,3-Dihydro isobenzofuran

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    #  Species Formula
   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 BenzofuranC8H6O
   809 1,3-Dihydro isobenzofuran C8H8O
   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
   819 3,5-Dimethyl phenolC8H10O


DHf: -7.2 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
1,3-Dihydro isobenzofuran
 H=-7.2 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.40871774  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.37976450  1  121.0046785  1    0.0000000  0     2     1     0
  C     1.40240718  1  118.1116339  1    0.0267527  1     3     2     1
  C     1.39110640  1  120.8848544  1   -0.0118505  1     4     3     2
  C     1.37964105  1  121.0145017  1   -0.0190689  1     1     2     3
  C     1.49462402  1  108.4469338  1 -179.9906929  1     1     2     6
  O     1.43613512  1  106.5159059  1    0.0114364  1     7     1     2
  H     1.08631008  1  121.4019748  1 -179.9978394  1     3     2     4
  H     1.08869793  1  119.2914388  1  179.9974247  1     4     3     5
  H     1.08862771  1  119.8404493  1  179.9921831  1     5     4     3
  H     1.08635520  1  121.3894339  1  179.9975453  1     6     1     2
  C     1.43590604  1  110.0822088  1   -0.0361194  1     8     7     1
  H     1.10423110  1  105.9124608  1 -121.4313184  1    13     8     7
  H     1.10419305  1  105.9165126  1 -117.0260859  1    13     8    14
  H     1.10421461  1  113.8033467  1  116.2489948  1     7     1     8
  H     1.10405097  1  113.8345796  1  127.4568150  1     7     1    16