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Geometry for H2S2 (Disulfane) 1A C2

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

PBEPBE/Def2TZVPP


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 1.0322 -0.0547   -0.0547 -0.0019 1.0322
S2 0.0000 -1.0322 -0.0547   -0.0547 -0.0019 -1.0322
H3 0.9691 1.2297 0.8753   0.8414 0.9986 1.2297
H4 -0.9691 -1.2297 0.8753   0.9081 -0.9384 -1.2297
Atom - Atom Distances (Å)
  S1 S2 H3 H4
S1 2.0644 1.3576 2.6306
S2 2.0644 2.6306 1.3576
H3 1.3576 2.6306 3.1313
H4 2.6306 1.3576 3.1313
Maximum atom distance is 3.1313Å 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 98.364 S2 S1 H3 98.364

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