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 HBS (hydrogen boron sulfide) 1Σ C*V

1910171554
InChI=1S/BHS/c1-2/h1H INChIKey=WGPDGCGYTCPFPX-UHFFFAOYSA-N

CCSD=FULL/aug-cc-pVTZ


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
B1 0.0000 0.0000 -1.1094
H2 0.0000 0.0000 -2.2755
S3 0.0000 0.0000 0.4889
Atom - Atom Distances (Å)
  B1 H2 S3
B1 1.1661 1.5983
H2 1.1661 2.7644
S3 1.5983 2.7644
Maximum atom distance is 2.7644Å between atoms H2 and S3.
picture of hydrogen boron sulfide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 B1 S3 180.000

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