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Geometry for NH2SH (Thiohydroxylamine) 1A' CS trans

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

MP3/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0146 1.1026 0.0000   1.1006 -0.0684 0.0000
S2 0.0146 -0.6142 0.0000   -0.6114 0.0608 0.0000
H3 -1.3103 -0.7787 0.0000   -0.8751 -1.2479 0.0000
H4 0.4870 1.4440 0.8199   1.4766 0.3770 0.8199
H5 0.4870 1.4440 -0.8199   1.4766 0.3770 -0.8199
Atom - Atom Distances (Å)
  N1 S2 H3 H4 H5
N1 1.7169 2.3010 1.0060 1.0060
S2 1.7169 1.3351 2.2654 2.2654
H3 2.3010 1.3351 2.9737 2.9737
H4 1.0060 2.2654 2.9737 1.6399
H5 1.0060 2.2654 2.9737 1.6399
Maximum atom distance is 2.9737Å 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 97.076 S2 N1 H4 109.838
S2 N1 H5 109.838 H4 N1 H5 109.183

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