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Geometry for S4 (Sulfur tetramer) 1A1 D2D

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

B2PLYP=FULLultrafine/STO-3G


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 1.4823 0.2499   1.1672 0.9138 0.2499
S2 0.0000 -1.4823 0.2499   -1.1672 -0.9138 0.2499
S3 -1.4823 0.0000 -0.2499   0.9138 -1.1672 -0.2499
S4 1.4823 0.0000 -0.2499   -0.9138 1.1672 -0.2499
Atom - Atom Distances (Å)
  S1 S2 S3 S4
S1 2.9647 2.1551 2.1551
S2 2.9647 2.1551 2.1551
S3 2.1551 2.1551 2.9647
S4 2.1551 2.1551 2.9647
Maximum atom distance is 2.9647Å between atoms S1 and S2.
picture of Sulfur tetramer
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 S2 S4 46.541 S1 S3 S4 46.541
S2 S1 S3 46.541 S2 S4 S3 46.541

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