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Geometry for S4 (Sulfur tetramer) 1A1 C2V

1910171554
InChI=1S/S4/c1-3-4-2 INChIKey=

BLYP/aug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 1.1854 0.9650   0.9650 0.0000 1.1854
S2 0.0000 -1.1854 0.9650   0.9650 0.0000 -1.1854
S3 0.0000 1.5297 -0.9650   -0.9650 0.0000 1.5297
S4 0.0000 -1.5297 -0.9650   -0.9650 0.0000 -1.5297
Atom - Atom Distances (Å)
  S1 S2 S3 S4
S1 2.3707 1.9606 3.3312
S2 2.3707 3.3312 1.9606
S3 1.9606 3.3312 3.0595
S4 3.3312 1.9606 3.0595
Maximum atom distance is 3.3312Å between atoms S1 and S4.
picture of Sulfur tetramer
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 S2 S4 100.117 S1 S3 S4 79.883
S2 S1 S3 100.117 S2 S4 S3 79.883

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