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Geometry for S3 (Sulfur trimer) 1A1 C2V

1910171554
InChI=1S/S3/c1-3-2 INChIKey=NVSDADJBGGUCLP-UHFFFAOYSA-N

B2PLYP=FULL/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6635   0.6635 0.0000 0.0000
S2 0.0000 1.6584 -0.3318   -0.3318 0.0000 1.6584
S3 0.0000 -1.6584 -0.3318   -0.3318 0.0000 -1.6584
Atom - Atom Distances (Å)
  S1 S2 S3
S1 1.9342 1.9342
S2 1.9342 3.3169
S3 1.9342 3.3169
Maximum atom distance is 3.3169Å between atoms S2 and S3.
picture of Sulfur trimer
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 S1 S3 118.059

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