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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 0.0123 1.1281 0.0000   1.1256 -0.0757 0.0000
S2 0.0123 -0.6244 0.0000   -0.6215 0.0609 0.0000
H3 -1.3400 -0.7932 0.0000   -0.8953 -1.2741 0.0000
H4 0.5288 1.4431 0.8266   1.4799 0.4146 0.8266
H5 0.5288 1.4431 -0.8266   1.4799 0.4146 -0.8266
Atom - Atom Distances (Å)
  N1 S2 H3 H4 H5
N1 1.7525 2.3495 1.0243 1.0243
S2 1.7525 1.3628 2.2857 2.2857
H3 2.3495 1.3628 3.0293 3.0293
H4 1.0243 2.2857 3.0293 1.6532
H5 1.0243 2.2857 3.0293 1.6532
Maximum atom distance is 3.0293Å 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 97.115 S2 N1 H4 107.907
S2 N1 H5 107.907 H4 N1 H5 107.600

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