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

selenium dioxide   4061 Selenium dioxide

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    #  Species Formula
  4051 Selenophene (Geo)C4H4Se
  4052 SelenopheneC4H4Se
  4053 Tetrahydroselenophene (Geo)C4H8Se
  4054 TetrahydroselenopheneC4H8Se
  4055 DiethylseleniumC4H10Se
  4056 SeH-NH2H3NSe
  4057 SeH-NH2 (Geo)H3NSe
  4058 Isoselenocyanic acid (Se=C=N-H) (Geo)HCNSe
  4059 Selenium oxide (Geo)OSe
  4060 Carbon oxyselenide (Geo)COSe
  4061 Selenium dioxide O2Se
  4062 Selenium dioxide (Geo)O2Se
  4063 Selenium trioxide (Geo)O3Se
  4064 Selenic acid (Se(OH)6) (Geo)H6O6Se
  4065 Selenium fluorideFSe
  4066 Selenocarbonyl difluoride (Geo)CF2Se
  4067 Selenyl fluoride (Geo)OF2Se
  4068 Selenoyl fluoride (SeO2F2) (Geo)O2F2Se
  4069 Selenium tetrafluoride (Geo)F4Se
  4070 Selenium tetrafluorideF4Se
  4071 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