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Geometry for CF2CCl2 (difluorodichloroethylene) 1A1 C2V

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

B2PLYP=FULLultrafine/6-31G*


Point group is C2v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 1.0966
C2 0.0000 0.0000 -0.2371
F3 0.0000 1.0933 1.8328
F4 0.0000 -1.0933 1.8328
Cl5 0.0000 1.4790 -1.1220
Cl6 0.0000 -1.4790 -1.1220
Atom - Atom Distances (Å)
  C1 C2 F3 F4 Cl5 Cl6
C1 1.3337 1.3181 1.3181 2.6664 2.6664
C2 1.3337 2.3409 2.3409 1.7235 1.7235
F3 1.3181 2.3409 2.1866 2.9799 3.9176
F4 1.3181 2.3409 2.1866 3.9176 2.9799
Cl5 2.6664 1.7235 2.9799 3.9176 2.9579
Cl6 2.6664 1.7235 3.9176 2.9799 2.9579
Maximum atom distance is 3.9176Å 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 120.894 C1 C2 Cl6 120.894
C2 C1 F3 123.958 C2 C1 F4 123.958
F3 C1 F4 112.085 Cl5 C2 Cl6 118.212

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