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Geometry for S4 (Sulfur tetramer) 1A1 C2V

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

QCISD(T)=FULL/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 1.1695 0.9613   0.9613 0.0000 1.1695
S2 0.0000 -1.1695 0.9613   0.9613 0.0000 -1.1695
S3 0.0000 1.4991 -0.9613   -0.9613 0.0000 1.4991
S4 0.0000 -1.4991 -0.9613   -0.9613 0.0000 -1.4991
Atom - Atom Distances (Å)
  S1 S2 S3 S4
S1 2.3390 1.9507 3.2891
S2 2.3390 3.2891 1.9507
S3 1.9507 3.2891 2.9981
S4 3.2891 1.9507 2.9981
Maximum atom distance is 3.2891Å 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 99.726 S1 S3 S4 80.274
S2 S1 S3 99.726 S2 S4 S3 80.274

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