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Geometry for NH2SH (Thiohydroxylamine) 1A' CS trans

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

PBEPBE/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0016 1.1797 0.0000   1.1758 -0.0959 0.0000
S2 0.0016 -0.6469 0.0000   -0.6446 0.0550 0.0000
H3 -1.3718 -0.7174 0.0000   -0.8283 -1.3078 0.0000
H4 0.6680 1.4052 0.8200   1.4556 0.5496 0.8200
H5 0.6680 1.4052 -0.8200   1.4556 0.5496 -0.8200
Atom - Atom Distances (Å)
  N1 S2 H3 H4 H5
N1 1.8266 2.3420 1.0804 1.0804
S2 1.8266 1.3752 2.3082 2.3082
H3 2.3420 1.3752 3.0559 3.0559
H4 1.0804 2.3082 3.0559 1.6400
H5 1.0804 2.3082 3.0559 1.6400
Maximum atom distance is 3.0559Å 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 92.938 S2 N1 H4 102.048
S2 N1 H5 102.048 H4 N1 H5 98.740

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