Accuracy

selenium dioxide   4059 Selenium dioxide

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    #  Species Formula
  4049 Selenophene (Geo)C4H4Se
  4050 SelenopheneC4H4Se
  4051 Tetrahydroselenophene (Geo)C4H8Se
  4052 TetrahydroselenopheneC4H8Se
  4053 DiethylseleniumC4H10Se
  4054 SeH-NH2H3NSe
  4055 SeH-NH2 (Geo)H3NSe
  4056 Isoselenocyanic acid (Se=C=N-H) (Geo)HCNSe
  4057 Selenium oxide (Geo)OSe
  4058 Carbon oxyselenide (Geo)COSe
  4059 Selenium dioxide O2Se
  4060 Selenium dioxide (Geo)O2Se
  4061 Selenium trioxide (Geo)O3Se
  4062 Selenic acid (Se(OH)6) (Geo)H6O6Se
  4063 Selenium fluorideFSe
  4064 Selenocarbonyl difluoride (Geo)CF2Se
  4065 Selenyl fluoride (Geo)OF2Se
  4066 Selenoyl fluoride (SeO2F2) (Geo)O2F2Se
  4067 Selenium tetrafluoride (Geo)F4Se
  4068 Selenium tetrafluorideF4Se
  4069 Selenium hexafluoride (Geo)F6Se


ΔHf: -28.7 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
Dipole: 2.7 Debye,     REF: K. P. Huber, G. Herzberg, "Molecular Spectra and Molecular Structure," IV. "Constants for Diatomic Molecules," Van Nostrand, Reinhold, New York, (1979).
  
 SYMMETRY FIELD=(0.01,0.02,0.06) PM7
Selenium dioxide
 H=-28.7 HR=PW91D D=2.7 DR=HH1979
 
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Se     1.60218501 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.60218501 +0  106.4195531 +1    0.0000000 +0     2     1     0
 
   2  1    3