PM7 Accuracy

3,4-dihydro-1h-2-benzopyran    852 3,4-Dihydro-1H-2-benzopyran

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    #  Species Formula
   842 4-OctanoneC8H16O
   843 OctanalC8H16O
   844 1-OctanolC8H18O
   845 1-Tert-butoxybutaneC8H18O
   846 2-(1,1-Dimethylethoxy)-butaneC8H18O
   847 Di-n-butyl etherC8H18O
   848 Di-sec-butyl etherC8H18O
   849 sec-Butyl-tert-butyl etherC8H18O
   850 tert-Butyl etherC8H18O
   851 tert-Butyl isobutyl etherC8H18O
   852 3,4-Dihydro-1H-2-benzopyran C9H10O
   853 3,4-Dihydro-2H-1-benzopyranC9H10O
   854 Benzyl methyl ketoneC9H10O
   855 2(-1-Methylethyl)-phenolC9H12O
   856 2,4,6-Trimethyl phenolC9H12O
   857 3(-1-Methylethyl)-phenolC9H12O
   858 4-(-1-Methylethyl)-phenolC9H12O
   859 2,6,6-Trimethyl-2-cyclohexen-1-oneC9H14O
   860 Bicycle[3.3.1]nonan-9-one -check -3-oneC9H14O
   861 cis Octahydro-2H-inden-2-oneC9H14O
   862 trans Octahydro-2H-inden-2-oneC9H14O


DHf: -15.1 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
3,4-Dihydro-1H-2-benzopyran
 H=-15.1 HR=NIST
  C     0.00152349  1  -0.00752428  1   0.00111625  1
  C     1.39297842  1  -0.02291503  1   0.04374118  1
  C     2.10378516  1   1.17652249  1   0.01842218  1
  C     1.42325857  1   2.38895135  1  -0.04963886  1
  C     0.02731281  1   2.40982827  1  -0.09409180  1
  C    -0.68243853  1   1.20660157  1  -0.06880254  1
  C    -0.69775722  1   3.71334085  1  -0.19393461  1
  C    -2.15557421  1   3.54780104  1   0.24817610  1
  O    -2.74454121  1   2.45987155  1  -0.43548075  1
  C    -2.17930198  1   1.20694721  1  -0.10091704  1
  H    -0.55227775  1  -0.94387573  1   0.02024861  1
  H     1.92528731  1  -0.97026140  1   0.09544515  1
  H     3.19123806  1   1.16485281  1   0.05076985  1
  H     1.97972092  1   3.32336622  1  -0.07067734  1
  H    -0.66472883  1   4.06377261  1  -1.24943528  1
  H    -0.20102391  1   4.50149455  1   0.40441047  1
  H    -2.78996365  1   4.39663601  1  -0.06677046  1
  H    -2.24300443  1   3.40420069  1   1.33894096  1
  H    -2.57844987  1   0.55523093  1  -0.90624958  1
  H    -2.59972811  1   0.88429463  1   0.87310354  1