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 OCS (Carbonyl sulfide) 1Σ C*V

1910171554
InChI=1S/COS/c2-1-3 INChIKey=JJWKPURADFRFRB-UHFFFAOYSA-N

MP2/daug-cc-pVTZ


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -0.5237
O2 0.0000 0.0000 -1.6925
S3 0.0000 0.0000 1.0426
Atom - Atom Distances (Å)
  C1 O2 S3
C1 1.1688 1.5664
O2 1.1688 2.7351
S3 1.5664 2.7351
Maximum atom distance is 2.7351Å between atoms O2 and S3.
picture of Carbonyl sulfide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 S3 180.000

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