return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for SeO2 (Selenium dioxide) 1A1 C2V

1910171554
InChI=1S/O2Se/c1-3-2 INChIKey=JPJALAQPGMAKDF-UHFFFAOYSA-N

mPW1PW91/Def2TZVPP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.0000 0.0000 0.2794   0.2794 0.0000 0.0000
O2 0.0000 1.3396 -0.5938   -0.5938 0.0000 1.3396
O3 0.0000 -1.3396 -0.5938   -0.5938 0.0000 -1.3396
Atom - Atom Distances (Å)
  Se1 O2 O3
Se1 1.5991 1.5991
O2 1.5991 2.6792
O3 1.5991 2.6792
Maximum atom distance is 2.6792Å between atoms O2 and O3.
picture of Selenium dioxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 Se1 O3 113.804

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.