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Geometry for Cl2CS (Thiophosgene) 1A1 C2V

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

B3LYP/LANL2DZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.1616   0.1616 0.0000 0.0000
S2 0.0000 0.0000 1.8017   1.8017 0.0000 0.0000
Cl3 0.0000 1.4879 -0.8764   -0.8764 1.4879 0.0000
Cl4 0.0000 -1.4879 -0.8764   -0.8764 -1.4879 0.0000
Atom - Atom Distances (Å)
  C1 S2 Cl3 Cl4
C1 1.6401 1.8141 1.8141
S2 1.6401 3.0636 3.0636
Cl3 1.8141 3.0636 2.9757
Cl4 1.8141 3.0636 2.9757
Maximum atom distance is 3.0636Å 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 124.899 S2 C1 Cl4 124.899
Cl3 C1 Cl4 110.201

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