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Geometry for NH2SH (Thiohydroxylamine) 1A' CS trans

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

mPW1PW91/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0157 1.1007 0.0000   1.0987 -0.0672 0.0000
S2 0.0157 -0.6138 0.0000   -0.6109 0.0619 0.0000
H3 -1.3200 -0.7866 0.0000   -0.8837 -1.2570 0.0000
H4 0.4790 1.4515 0.8244   1.4834 0.3684 0.8244
H5 0.4790 1.4515 -0.8244   1.4834 0.3684 -0.8244
Atom - Atom Distances (Å)
  N1 S2 H3 H4 H5
N1 1.7145 2.3121 1.0086 1.0086
S2 1.7145 1.3469 2.2715 2.2715
H3 2.3121 1.3469 2.9875 2.9875
H4 1.0086 2.2715 2.9875 1.6489
H5 1.0086 2.2715 2.9875 1.6489
Maximum atom distance is 2.9875Å 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 97.368 S2 N1 H4 110.355
S2 N1 H5 110.355 H4 N1 H5 109.643

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