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Geometry for (hydrogen disulfide cation) 2Bg C2H

1910171554
InChI=1S/H2S2/c1-2/h1-2H/q+1 INChIKey=JIQKIOAUHYCLRI-UHFFFAOYSA-N

B3LYP/aug-cc-pVQZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 1.0062 0.0000   1.0050 -0.0474 0.0000
S2 0.0000 -1.0062 0.0000   -1.0050 0.0474 0.0000
H3 1.3527 1.1008 0.0000   1.1633 1.2994 0.0000
H4 -1.3527 -1.1008 0.0000   -1.1633 -1.2994 0.0000
Atom - Atom Distances (Å)
  S1 S2 H3 H4
S1 2.0123 1.3560 2.5038
S2 2.0123 2.5038 1.3560
H3 1.3560 2.5038 3.4881
H4 2.5038 1.3560 3.4881
Maximum atom distance is 3.4881Å between atoms H3 and H4.
picture of hydrogen disulfide cation
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
S1 S2 H4 94.002 S2 S1 H3 94.002

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