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 SiS2 (Silicon disulfide) 1Σg D*H

1910171554
InChI=1S/S2Si/c1-3-2 INChIKey=KHDSWONFYIAAPE-UHFFFAOYSA-N

PBE1PBE/STO-3G


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
Si1 0.0000 0.0000 0.0000
S2 0.0000 0.0000 1.9115
S3 0.0000 0.0000 -1.9115
Atom - Atom Distances (Å)
  Si1 S2 S3
Si1 1.9115 1.9115
S2 1.9115 3.8229
S3 1.9115 3.8229
Maximum atom distance is 3.8229Å between atoms S2 and S3.
picture of Silicon disulfide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 Si1 S3 180.000

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