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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/cc-pVDZ


Point group is C2v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 1.1004
C2 0.0000 0.0000 -0.2379
F3 0.0000 1.0905 1.8381
F4 0.0000 -1.0905 1.8381
Cl5 0.0000 1.4847 -1.1253
Cl6 0.0000 -1.4847 -1.1253
Atom - Atom Distances (Å)
  C1 C2 F3 F4 Cl5 Cl6
C1 1.3383 1.3166 1.3166 2.6755 2.6755
C2 1.3383 2.3450 2.3450 1.7297 1.7297
F3 1.3166 2.3450 2.1810 2.9896 3.9261
F4 1.3166 2.3450 2.1810 3.9261 2.9896
Cl5 2.6755 1.7297 2.9896 3.9261 2.9694
Cl6 2.6755 1.7297 3.9261 2.9896 2.9694
Maximum atom distance is 3.9261Å 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 120.867 C1 C2 Cl6 120.867
C2 C1 F3 124.077 C2 C1 F4 124.077
F3 C1 F4 111.846 Cl5 C2 Cl6 118.266

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