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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/6-311G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3373   0.0000 0.3373 0.0000
F2 0.0000 1.0726 1.1152   0.0000 1.1152 1.0726
F3 0.0000 -1.0726 1.1152   0.0000 1.1152 -1.0726
Cl4 1.4633 0.0000 -0.6499   1.4633 -0.6499 0.0000
Cl5 -1.4633 0.0000 -0.6499   -1.4633 -0.6499 0.0000
Atom - Atom Distances (Å)
  C1 F2 F3 Cl4 Cl5
C1 1.3250 1.3250 1.7652 1.7652
F2 1.3250 2.1452 2.5313 2.5313
F3 1.3250 2.1452 2.5313 2.5313
Cl4 1.7652 2.5313 2.5313 2.9266
Cl5 1.7652 2.5313 2.5313 2.9266
Maximum atom distance is 2.9266Å 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 108.094 F2 C1 Cl4 109.168
F2 C1 Cl5 109.168 F3 C1 Cl4 109.168
F3 C1 Cl5 109.168 Cl4 C1 Cl5 111.992

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