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Geometry for CF2CCl2 (difluorodichloroethylene) 1A1 C2V

1910171554
InChI=1S/C2Cl2F2/c3-1(4)2(5)6 INChIKey=QDGONURINHVBEW-UHFFFAOYSA-N

PBEPBE/6-31G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.1055   1.1055 0.0000 0.0000
C2 0.0000 0.0000 -0.2413   -0.2413 0.0000 0.0000
F3 0.0000 1.1018 1.8427   1.8427 1.1018 0.0000
F4 0.0000 -1.1018 1.8427   1.8427 -1.1018 0.0000
Cl5 0.0000 1.4852 -1.1281   -1.1281 1.4852 0.0000
Cl6 0.0000 -1.4852 -1.1281   -1.1281 -1.4852 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 Cl5 Cl6
C1 1.3468 1.3256 1.3256 2.6823 2.6823
C2 1.3468 2.3573 2.3573 1.7298 1.7298
F3 1.3256 2.3573 2.2035 2.9954 3.9392
F4 1.3256 2.3573 2.2035 3.9392 2.9954
Cl5 2.6823 1.7298 2.9954 3.9392 2.9703
Cl6 2.6823 1.7298 3.9392 2.9954 2.9703
Maximum atom distance is 3.9392Å between atoms F3 and Cl6.
picture of difluorodichloroethylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl5 120.841 C1 C2 Cl6 120.841
C2 C1 F3 123.785 C2 C1 F4 123.785
F3 C1 F4 112.430 Cl5 C2 Cl6 118.317

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