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Geometry for (Thiohydroxylamine) 1A' CS trans

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

PBEPBE/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0579 1.0659 0.0000   1.0672 0.0254 0.0000
S2 0.0579 -0.6048 0.0000   -0.6027 0.0764 0.0000
H3 -1.2858 -0.9570 0.0000   -0.9957 -1.2560 0.0000
H4 -0.0235 1.5859 0.8741   1.5844 -0.0718 0.8741
H5 -0.0235 1.5859 -0.8741   1.5844 -0.0718 -0.8741
Atom - Atom Distances (Å)
  N1 S2 H3 H4 H5
N1 1.6707 2.4285 1.0203 1.0203
S2 1.6707 1.3891 2.3600 2.3600
H3 2.4285 1.3891 2.9705 2.9705
H4 1.0203 2.3600 2.9705 1.7483
H5 1.0203 2.3600 2.9705 1.7483
Maximum atom distance is 2.9705Å 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 104.687 S2 N1 H4 120.637
S2 N1 H5 120.637 H4 N1 H5 117.896

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