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Geometry for H2S2 (Disulfane) 1A C2

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

B3PW91/6-31G(2df,p)


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 1.0303 -0.0540   1.0297 -0.0351 -0.0540
S2 0.0000 -1.0303 -0.0540   -1.0297 0.0351 -0.0540
H3 0.9696 1.2251 0.8642   1.2575 0.9273 0.8642
H4 -0.9696 -1.2251 0.8642   -1.2575 -0.9273 0.8642
Atom - Atom Distances (Å)
  S1 S2 H3 H4
S1 2.0605 1.3495 2.6211
S2 2.0605 2.6211 1.3495
H3 1.3495 2.6211 3.1248
H4 2.6211 1.3495 3.1248
Maximum atom distance is 3.1248Å 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 98.303 S2 S1 H3 98.303

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