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 SNO (Nitrogen oxide sulfide) 2A' CS

1910171554
InChI=1S/NOS/c2-1-3 INChIKey=

B2PLYP/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.6606 0.0000   0.5516 0.3635 0.0000
S2 -0.5098 -0.9488 0.0000   -0.5117 -0.9478 0.0000
O3 1.0197 1.3197 0.0000   0.5407 1.5776 0.0000
Atom - Atom Distances (Å)
  N1 S2 O3
N1 1.6882 1.2141
S2 1.6882 2.7360
O3 1.2141 2.7360
Maximum atom distance is 2.7360Å between atoms S2 and O3.
picture of Nitrogen oxide sulfide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 N1 O3 140.454

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