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 OCSe (Carbonyl selenide) 1Σ C*V

1910171554
InChI=1S/COSe/c2-1-3 INChIKey=RQZJHKMUYSXABM-UHFFFAOYSA-N

B3PW91/6-311G*


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -1.0197
O2 0.0000 0.0000 -2.1729
Se3 0.0000 0.0000 0.6912
Atom - Atom Distances (Å)
  C1 O2 Se3
C1 1.1532 1.7109
O2 1.1532 2.8641
Se3 1.7109 2.8641
Maximum atom distance is 2.8641Å between atoms O2 and Se3.
picture of Carbonyl selenide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 Se3 180.000

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