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Geometry for H2S2 (Disulfane) 1A C2

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

PBEPBE/6-311+G(3df,2p)


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 1.0351 -0.0547   1.0345 0.0331 -0.0547
S2 0.0000 -1.0351 -0.0547   -1.0345 -0.0331 -0.0547
H3 0.9699 1.2332 0.8755   1.2015 1.0089 0.8755
H4 -0.9699 -1.2332 0.8755   -1.2015 -1.0089 0.8755
Atom - Atom Distances (Å)
  S1 S2 H3 H4
S1 2.0701 1.3584 2.6364
S2 2.0701 2.6364 1.3584
H3 1.3584 2.6364 3.1378
H4 2.6364 1.3584 3.1378
Maximum atom distance is 3.1378Å 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 98.385 S2 S1 H3 98.385

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