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Geometry for S4 (Sulfur tetramer) 1A1 C2V

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

B3LYP/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 1.0709 0.9210   0.9210 0.0000 1.0709
S2 0.0000 -1.0709 0.9210   0.9210 0.0000 -1.0709
S3 0.0000 1.6250 -0.9210   -0.9210 0.0000 1.6250
S4 0.0000 -1.6250 -0.9210   -0.9210 0.0000 -1.6250
Atom - Atom Distances (Å)
  S1 S2 S3 S4
S1 2.1419 1.9236 3.2651
S2 2.1419 3.2651 1.9236
S3 1.9236 3.2651 3.2499
S4 3.2651 1.9236 3.2499
Maximum atom distance is 3.2651Å 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 106.740 S1 S3 S4 73.260
S2 S1 S3 106.740 S2 S4 S3 73.260

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