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 PS (phosphorus sulfide) 2Σ C*V

1910171554
InChI=1S/PS/c1-2 INChIKey=VKCLPVFDVVKEKU-UHFFFAOYSA-N

PBEPBEultrafine/6-31G*


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
S1 0.0000 0.0000 0.9358
P2 0.0000 0.0000 -0.9981
Atom - Atom Distances (Å)
  S1 P2
S1 1.9339
P2 1.9339
Maximum atom distance is 1.9339Å between atoms S1 and P2.
picture of phosphorus sulfide

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