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Geometry for S3 (Sulfur trimer) 1A1 C2V

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

B3LYPultrafine/Def2TZVPP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6592   0.6592 0.0000 0.0000
S2 0.0000 1.6495 -0.3296   -0.3296 0.0000 1.6495
S3 0.0000 -1.6495 -0.3296   -0.3296 0.0000 -1.6495
Atom - Atom Distances (Å)
  S1 S2 S3
S1 1.9232 1.9232
S2 1.9232 3.2990
S3 1.9232 3.2990
Maximum atom distance is 3.2990Å 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 118.116

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