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Geometry for NH2SH (Thiohydroxylamine) 1A' CS trans

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

PBE1PBE/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0145 1.1070 0.0000   1.1029 0.0961 0.0000
S2 0.0145 -0.6160 0.0000   -0.6154 -0.0309 0.0000
H3 -1.3228 -0.7921 0.0000   -0.6925 -1.3776 0.0000
H4 0.4942 1.4495 0.8252   1.4091 0.5997 0.8252
H5 0.4942 1.4495 -0.8252   1.4091 0.5997 -0.8252
Atom - Atom Distances (Å)
  N1 S2 H3 H4 H5
N1 1.7229 2.3227 1.0141 1.0141
S2 1.7229 1.3489 2.2753 2.2753
H3 2.3227 1.3489 3.0012 3.0012
H4 1.0141 2.2753 3.0012 1.6504
H5 1.0141 2.2753 3.0012 1.6504
Maximum atom distance is 3.0012Å 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 97.502 S2 N1 H4 109.741
S2 N1 H5 109.741 H4 N1 H5 108.927

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