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Geometry for NH2SH (Thiohydroxylamine) 1A' CS trans

1910171554
InChI=1S/H3NS/c1-2/h2H,1H2 INChIKey=

CCSD(T)/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0129 1.1241 0.0000   1.1200 0.0970 0.0000
S2 0.0129 -0.6247 0.0000   -0.6239 -0.0339 0.0000
H3 -1.3281 -0.7758 0.0000   -0.6742 -1.3825 0.0000
H4 0.5161 1.4512 0.8249   1.4085 0.6233 0.8249
H5 0.5161 1.4512 -0.8249   1.4085 0.6233 -0.8249
Atom - Atom Distances (Å)
  N1 S2 H3 H4 H5
N1 1.7488 2.3255 1.0201 1.0201
S2 1.7488 1.3495 2.2898 2.2898
H3 2.3255 1.3495 3.0069 3.0069
H4 1.0201 2.2898 3.0069 1.6497
H5 1.0201 2.2898 3.0069 1.6497
Maximum atom distance is 3.0069Å between atoms H3 and H4.
picture of Thiohydroxylamine
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
N1 S2 H3 96.430 S2 N1 H4 108.701
S2 N1 H5 108.701 H4 N1 H5 107.918

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