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Geometry for CFCl2 (dichlorofluoromethyl radical) 2A' CS

1910171554
InChI=1S/CCl2F/c2-1(3)4 INChIKey=

BLYP/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1674 0.4599 0.0000   0.1884 0.4195 0.1674
F2 -0.7442 1.4496 0.0000   0.5940 1.3223 -0.7442
Cl3 0.1674 -0.4649 1.5088   1.1858 -1.0423 0.1674
Cl4 0.1674 -0.4649 -1.5088   -1.5668 0.1942 0.1674
Atom - Atom Distances (Å)
  C1 F2 Cl3 Cl4
C1 1.3456 1.7696 1.7696
F2 1.3456 2.6024 2.6024
Cl3 1.7696 2.6024 3.0176
Cl4 1.7696 2.6024 3.0176
Maximum atom distance is 3.0176Å between atoms Cl3 and Cl4.
picture of dichlorofluoromethyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 Cl3 112.603 F2 C1 Cl4 112.603
Cl3 C1 Cl4 116.991

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