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

1,3-dihydro isobenzofuran    808 1,3-Dihydro isobenzofuran

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    #  Species Formula
   798 CycloheptanoneC7H12O
   799 2,4-Dimethyl 3-pentanoneC7H14O
   800 2-Methyl cis-cyclohexanolC7H14O
   801 3,3-Dimethyl-2-pentanoneC7H14O
   802 4-HeptanoneC7H14O
   803 HeptanalC7H14O
   804 t-Butyl ethyl ketoneC7H14O
   805 n-HeptanolC7H16O
   806 t-Butyl isopropyl etherC7H16O
   807 BenzofuranC8H6O
   808 1,3-Dihydro isobenzofuran C8H8O
   809 1-PhenylethenolC8H8O
   810 2,3-Dihydro-benzofuranC8H8O
   811 AcetophenoneC8H8O
   812 2,3-Dimethyl phenolC8H10O
   813 2,4-Dimethyl phenolC8H10O
   814 2,5-Dimethyl phenolC8H10O
   815 2,6-Dimethyl phenolC8H10O
   816 2-Ethyl phenolC8H10O
   817 3,4-Dimethyl phenolC8H10O
   818 3,5-Dimethyl phenolC8H10O


ΔHf: -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