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 SCSe (Carbon sulfide selenide) 1Σ C*V

1910171554
InChI=1S/CSSe/c2-1-3 INChIKey=UGVGOQWEDNFDPF-UHFFFAOYSA-N

CID/6-311G*


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -0.5879
S2 0.0000 0.0000 -2.1315
Se3 0.0000 0.0000 1.1068
Atom - Atom Distances (Å)
  C1 S2 Se3
C1 1.5436 1.6947
S2 1.5436 3.2383
Se3 1.6947 3.2383
Maximum atom distance is 3.2383Å between atoms S2 and Se3.
picture of Carbon sulfide selenide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 Se3 180.000

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