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Geometry for S4 (Sulfur tetramer) 1A1 C2V

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

M06-2X/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 1.0450 0.9215   1.0450 0.9215 0.0000
S2 0.0000 -1.0450 0.9215   -1.0450 0.9215 0.0000
S3 0.0000 1.6004 -0.9215   1.6004 -0.9215 0.0000
S4 0.0000 -1.6004 -0.9215   -1.6004 -0.9215 0.0000
Atom - Atom Distances (Å)
  S1 S2 S3 S4
S1 2.0900 1.9248 3.2241
S2 2.0900 3.2241 1.9248
S3 1.9248 3.2241 3.2009
S4 3.2241 1.9248 3.2009
Maximum atom distance is 3.2241Å 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 106.772 S1 S3 S4 73.228
S2 S1 S3 106.772 S2 S4 S3 73.228

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