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 HNS (Sulfur imide) 1A' CS

1910171554
InChI=1S/HNS/c1-2/h1H INChIKey=GLBQVJGBPFPMMV-UHFFFAOYSA-N

B97D3/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0411 1.0490 0.0000   1.0453 0.0976 0.0000
S2 0.0411 -0.5453 0.0000   -0.5467 0.0116 0.0000
H3 -0.9443 1.3811 0.0000   1.4300 -0.8684 0.0000
Atom - Atom Distances (Å)
  N1 S2 H3
N1 1.5943 1.0398
S2 1.5943 2.1637
H3 1.0398 2.1637
Maximum atom distance is 2.1637Å between atoms S2 and H3.
picture of Sulfur imide
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
N2 S1 H3 112.700

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