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Geometry for Cl2CS (Thiophosgene) 1A1 C2V

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

mPW1PW91/6-31G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.1519   0.1519 0.0000 0.0000
S2 0.0000 0.0000 1.7851   1.7851 0.0000 0.0000
Cl3 0.0000 1.4752 -0.8669   -0.8669 1.4752 0.0000
Cl4 0.0000 -1.4752 -0.8669   -0.8669 -1.4752 0.0000
Atom - Atom Distances (Å)
  C1 S2 Cl3 Cl4
C1 1.6332 1.7928 1.7928
S2 1.6332 3.0347 3.0347
Cl3 1.7928 3.0347 2.9505
Cl4 1.7928 3.0347 2.9505
Maximum atom distance is 3.0347Å 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 124.629 S2 C1 Cl4 124.629
Cl3 C1 Cl4 110.743

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