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Geometry for CF2Cl2 (difluorodichloromethane) 1A1 C2V

1910171554
InChI=1S/CCl2F2/c2-1(3,4)5 INChIKey=PXBRQCKWGAHEHS-UHFFFAOYSA-N

M06-2X/TZVP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3412   0.0000 0.3412 0.0000
F2 0.0000 1.0719 1.1196   0.0000 1.1196 1.0719
F3 0.0000 -1.0719 1.1196   0.0000 1.1196 -1.0719
Cl4 1.4662 0.0000 -0.6529   1.4662 -0.6529 0.0000
Cl5 -1.4662 0.0000 -0.6529   -1.4662 -0.6529 0.0000
Atom - Atom Distances (Å)
  C1 F2 F3 Cl4 Cl5
C1 1.3248 1.3248 1.7714 1.7714
F2 1.3248 2.1438 2.5378 2.5378
F3 1.3248 2.1438 2.5378 2.5378
Cl4 1.7714 2.5378 2.5378 2.9323
Cl5 1.7714 2.5378 2.5378 2.9323
Maximum atom distance is 2.9323Å between atoms Cl4 and Cl5.
picture of difluorodichloromethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 F3 108.024 F2 C1 Cl4 109.254
F2 C1 Cl5 109.254 F3 C1 Cl4 109.254
F3 C1 Cl5 109.254 Cl4 C1 Cl5 111.724

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