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 S2 (Sulfur diatomic) 3Σg D*H

1910171554
InChI=1S/S2/c1-2 INChIKey=MAHNFPMIPQKPPI-UHFFFAOYSA-N

TPSSh/cc-pVTZ


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
S1 0.0000 0.0000 0.9482
S2 0.0000 0.0000 -0.9482
Atom - Atom Distances (Å)
  S1 S2
S1 1.8965
S2 1.8965
Maximum atom distance is 1.8965Å between atoms S1 and S2.
picture of Sulfur diatomic

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