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Geometry for NH2SH (Thiohydroxylamine) 1A' CS trans

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

B3PW91/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0155 1.1089 0.0000   1.1069 -0.0681 0.0000
S2 0.0155 -0.6176 0.0000   -0.6147 0.0620 0.0000
H3 -1.3248 -0.7948 0.0000   -0.8924 -1.2611 0.0000
H4 0.4837 1.4574 0.8263   1.4897 0.3725 0.8263
H5 0.4837 1.4574 -0.8263   1.4897 0.3725 -0.8263
Atom - Atom Distances (Å)
  N1 S2 H3 H4 H5
N1 1.7265 2.3282 1.0117 1.0117
S2 1.7265 1.3520 2.2820 2.2820
H3 2.3282 1.3520 3.0043 3.0043
H4 1.0117 2.2820 3.0043 1.6527
H5 1.0117 2.2820 3.0043 1.6527
Maximum atom distance is 3.0043Å 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 97.529 S2 N1 H4 110.148
S2 N1 H5 110.148 H4 N1 H5 109.534

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