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Geometry for NH2SH (Thiohydroxylamine) 1A' CS trans

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

PBEPBEultrafine/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0124 1.1274 0.0000   1.1234 0.0956 0.0000
S2 0.0124 -0.6245 0.0000   -0.6237 -0.0337 0.0000
H3 -1.3418 -0.7919 0.0000   -0.6907 -1.3966 0.0000
H4 0.5278 1.4459 0.8275   1.4030 0.6332 0.8275
H5 0.5278 1.4459 -0.8275   1.4030 0.6332 -0.8275
Atom - Atom Distances (Å)
  N1 S2 H3 H4 H5
N1 1.7519 2.3491 1.0256 1.0256
S2 1.7519 1.3646 2.2884 2.2884
H3 2.3491 1.3646 3.0312 3.0312
H4 1.0256 2.2884 3.0312 1.6551
H5 1.0256 2.2884 3.0312 1.6551
Maximum atom distance is 3.0312Å 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 97.049 S2 N1 H4 108.090
S2 N1 H5 108.090 H4 N1 H5 107.583

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