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Geometry for SOCl2 (thionyl chloride) 1A' CS

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

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


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.1762 0.7107 0.0000   0.0000 0.5847 0.4407
O2 -1.1011 1.3716 0.0000   0.0000 1.6935 -0.4750
Cl3 0.1762 -0.6572 1.5555   1.5555 -0.6736 -0.0956
Cl4 0.1762 -0.6572 -1.5555   -1.5555 -0.6736 -0.0956
Atom - Atom Distances (Å)
  S1 O2 Cl3 Cl4
S1 1.4381 2.0714 2.0714
O2 1.4381 2.8578 2.8578
Cl3 2.0714 2.8578 3.1111
Cl4 2.0714 2.8578 3.1111
Maximum atom distance is 3.1111Å 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 107.667 O2 S1 Cl4 107.667
Cl3 S1 Cl4 97.345

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