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 SOH (Sulfur Hydroxide) 1A' CS

1910171554
InChI=1S/HOS/c1-2/h1H INChIKey=

G4
This model chemistry uses a geometry from B3LYP/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0368 -0.6033 0.0000   -0.6043 0.0112 0.0000
O2 0.0368 1.0392 0.0000   1.0367 0.0808 0.0000
H3 -0.8831 1.3397 0.0000   1.3759 -0.8256 0.0000
Atom - Atom Distances (Å)
  S1 O2 H3
S1 1.6425 2.1498
O2 1.6425 0.9678
H3 2.1498 0.9678
Maximum atom distance is 2.1498Å between atoms S1 and H3.
picture of Sulfur Hydroxide
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
S1 O2 H3 108.092

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