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Geometry for S4 (Sulfur tetramer) 1A1 C2V

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

mPW1PW91/6-311G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 1.0815 0.9251   1.0815 0.9251 0.0000
S2 0.0000 -1.0815 0.9251   -1.0815 0.9251 0.0000
S3 0.0000 1.5799 -0.9251   1.5799 -0.9251 0.0000
S4 0.0000 -1.5799 -0.9251   -1.5799 -0.9251 0.0000
Atom - Atom Distances (Å)
  S1 S2 S3 S4
S1 2.1629 1.9162 3.2413
S2 2.1629 3.2413 1.9162
S3 1.9162 3.2413 3.1597
S4 3.2413 1.9162 3.1597
Maximum atom distance is 3.2413Å 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 105.076 S1 S3 S4 74.924
S2 S1 S3 105.076 S2 S4 S3 74.924

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