Accuracy

3,4-dihydro-2h-1-benzopyran    850 3,4-Dihydro-2H-1-benzopyran

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    #  Species Formula
   840 OctanalC8H16O
   841 1-OctanolC8H18O
   842 1-Tert-butoxybutaneC8H18O
   843 2-(1,1-Dimethylethoxy)-butaneC8H18O
   844 Di-n-butyl etherC8H18O
   845 Di-sec-butyl etherC8H18O
   846 sec-Butyl-tert-butyl etherC8H18O
   847 tert-Butyl etherC8H18O
   848 tert-Butyl isobutyl etherC8H18O
   849 3,4-Dihydro-1H-2-benzopyranC9H10O
   850 3,4-Dihydro-2H-1-benzopyran C9H10O
   851 Benzyl methyl ketoneC9H10O
   852 2(-1-Methylethyl)-phenolC9H12O
   853 2,4,6-Trimethyl phenolC9H12O
   854 3(-1-Methylethyl)-phenolC9H12O
   855 4-(-1-Methylethyl)-phenolC9H12O
   856 2,6,6-Trimethyl-2-cyclohexen-1-oneC9H14O
   857 Bicycle[3.3.1]nonan-9-one -check -3-oneC9H14O
   858 cis Octahydro-2H-inden-2-oneC9H14O
   859 trans Octahydro-2H-inden-2-oneC9H14O
   860 CyclononanoneC9H16O


ΔHf: -19.7 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-2H-1-benzopyran
 H=-19.7 HR=NIST
  C    -0.01297060 +1  -0.00062448 +1  -0.01038829 +1
  C     1.37590127 +1  -0.03146938 +1   0.01516211 +1
  C     2.10636728 +1   1.15256512 +1   0.13041891 +1
  C     1.44857777 +1   2.37777886 +1   0.21614637 +1
  C     0.05615250 +1   2.43767696 +1   0.18947127 +1
  C    -0.65774090 +1   1.23859166 +1   0.07994859 +1
  C    -0.66710531 +1   3.74225211 +1   0.27136611 +1
  C    -2.10530154 +1   3.59190150 +1  -0.23959096 +1
  C    -2.72561339 +1   2.34454323 +1   0.37930630 +1
  O    -2.01448367 +1   1.16398446 +1   0.01392726 +1
  H    -0.60211584 +1  -0.90913776 +1  -0.09896533 +1
  H     1.89747500 +1  -0.98536875 +1  -0.05346046 +1
  H     3.19258305 +1   1.11864724 +1   0.15008448 +1
  H     2.02637881 +1   3.29640705 +1   0.30119361 +1
  H    -0.13801265 +1   4.52069396 +1  -0.31555881 +1
  H    -0.66543637 +1   4.10696115 +1   1.32026359 +1
  H    -2.10431424 +1   3.50472652 +1  -1.34468409 +1
  H    -2.70628862 +1   4.48683648 +1  -0.00005910 +1
  H    -3.73681727 +1   2.12627274 +1  -0.01267558 +1
  H    -2.75200128 +1   2.39027542 +1   1.48250584 +1