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Geometry for NH2SH (Thiohydroxylamine) 1A' CS trans

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

wB97X-D/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0163 1.1028 0.0000   1.1010 -0.0662 0.0000
S2 0.0163 -0.6153 0.0000   -0.6123 0.0622 0.0000
H3 -1.3192 -0.7961 0.0000   -0.8925 -1.2560 0.0000
H4 0.4722 1.4602 0.8274   1.4914 0.3617 0.8274
H5 0.4722 1.4602 -0.8274   1.4914 0.3617 -0.8274
Atom - Atom Distances (Å)
  N1 S2 H3 H4 H5
N1 1.7181 2.3215 1.0100 1.0100
S2 1.7181 1.3477 2.2803 2.2803
H3 2.3215 1.3477 2.9974 2.9974
H4 1.0100 2.2803 2.9974 1.6548
H5 1.0100 2.2803 2.9974 1.6548
Maximum atom distance is 2.9974Å 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 97.711 S2 N1 H4 110.720
S2 N1 H5 110.720 H4 N1 H5 110.011

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