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Geometry for S4 (Sulfur tetramer) 1A1 D2D

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

G4
This model chemistry uses a geometry from B3LYP/6-31G(2df,p)


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 1.4454 0.3092   1.4454 0.0000 0.3092
S2 0.0000 -1.4454 0.3092   -1.4454 0.0000 0.3092
S3 -1.4454 0.0000 -0.3092   0.0000 -1.4454 -0.3092
S4 1.4454 0.0000 -0.3092   0.0000 1.4454 -0.3092
Atom - Atom Distances (Å)
  S1 S2 S3 S4
S1 2.8907 2.1355 2.1355
S2 2.8907 2.1355 2.1355
S3 2.1355 2.1355 2.8907
S4 2.1355 2.1355 2.8907
Maximum atom distance is 2.8907Å 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 47.404 S1 S3 S4 47.404
S2 S1 S3 47.404 S2 S4 S3 47.404

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