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Geometry for Cl2CS (Thiophosgene) 1A1 C2V

1910171554
InChI=1S/CCl2S/c2-1(3)4 INChIKey=ZWZVWGITAAIFPS-UHFFFAOYSA-N

PBEPBE/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.1426   0.1426 0.0000 0.0000
S2 0.0000 0.0000 1.7542   1.7542 0.0000 0.0000
Cl3 0.0000 1.4333 -0.8507   -0.8507 1.4333 0.0000
Cl4 0.0000 -1.4333 -0.8507   -0.8507 -1.4333 0.0000
Atom - Atom Distances (Å)
  C1 S2 Cl3 Cl4
C1 1.6116 1.7439 1.7439
S2 1.6116 2.9732 2.9732
Cl3 1.7439 2.9732 2.8666
Cl4 1.7439 2.9732 2.8666
Maximum atom distance is 2.9732Å between atoms S2 and Cl3.
picture of Thiophosgene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 Cl3 124.723 S2 C1 Cl4 124.723
Cl3 C1 Cl4 110.554

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