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Geometry for SOCl2 (thionyl chloride) 1A' CS

1910171554
InChI=1S/Cl2OS/c1-4(2)3 INChIKey=FYSNRJHAOHDILO-UHFFFAOYSA-N

mPW1PW91/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.1758 0.7213 0.0000   0.2783 0.6655 0.1758
O2 -1.0985 1.4333 0.0000   0.5530 1.3223 -1.0985
Cl3 0.1758 -0.6767 1.5891   1.2049 -1.2374 0.1758
Cl4 0.1758 -0.6767 -1.5891   -1.7271 -0.0111 0.1758
Atom - Atom Distances (Å)
  S1 O2 Cl3 Cl4
S1 1.4597 2.1165 2.1165
O2 1.4597 2.9327 2.9327
Cl3 2.1165 2.9327 3.1782
Cl4 2.1165 2.9327 3.1782
Maximum atom distance is 3.1782Å between atoms Cl3 and Cl4.
picture of thionyl chloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 S1 Cl3 108.794 O2 S1 Cl4 108.794
Cl3 S1 Cl4 97.320

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