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Geometry for H2S2 (Disulfane) 1A C2

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

B3LYP/6-311G**


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 1.0567 -0.0553   1.0562 0.0337 -0.0553
S2 0.0000 -1.0567 -0.0553   -1.0562 -0.0337 -0.0553
H3 0.9521 1.2498 0.8854   1.2188 0.9915 0.8854
H4 -0.9521 -1.2498 0.8854   -1.2188 -0.9915 0.8854
Atom - Atom Distances (Å)
  S1 S2 H3 H4
S1 2.1134 1.3523 2.6668
S2 2.1134 2.6668 1.3523
H3 1.3523 2.6668 3.1424
H4 2.6668 1.3523 3.1424
Maximum atom distance is 3.1424Å 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 98.210 S2 S1 H3 98.210

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