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Geometry for H2S2 (Disulfane) 1A C2

1910171554
InChI=1S/H2S2/c1-2/h1-2H INChIKey=BWGNESOTFCXPMA-UHFFFAOYSA-N

PBEPBEultrafine/TZVP


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 1.0510 -0.0558   1.0504 -0.0353 -0.0558
S2 0.0000 -1.0510 -0.0558   -1.0504 0.0353 -0.0558
H3 0.9628 1.2479 0.8931   1.2795 0.9203 0.8931
H4 -0.9628 -1.2479 0.8931   -1.2795 -0.9203 0.8931
Atom - Atom Distances (Å)
  S1 S2 H3 H4
S1 2.1020 1.3661 2.6669
S2 2.1020 2.6669 1.3661
H3 1.3661 2.6669 3.1523
H4 2.6669 1.3661 3.1523
Maximum atom distance is 3.1523Å between atoms H3 and H4.
picture of Disulfane
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 98.286 S2 S1 H3 98.286

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