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Geometry for CS2 (Carbon disulfide) 1Σg D*H

1910171554
InChI=1S/CS2/c2-1-3 INChIKey=QGJOPFRUJISHPQ-UHFFFAOYSA-N

B3LYPultrafine/aug-cc-pVDZ


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.0000
S2 0.0000 0.0000 1.5701
S3 0.0000 0.0000 -1.5701
Atom - Atom Distances (Å)
  C1 S2 S3
C1 1.5701 1.5701
S2 1.5701 3.1402
S3 1.5701 3.1402
Maximum atom distance is 3.1402Å between atoms S2 and S3.
picture of Carbon disulfide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 S3 180.000

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