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Geometry for CF2CCl2 (difluorodichloroethylene) 1A1 C2V

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

M06-2X/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.0869   1.0869 0.0000 0.0000
C2 0.0000 0.0000 -0.2354   -0.2354 0.0000 0.0000
F3 0.0000 1.0813 1.8214   1.8214 1.0813 0.0000
F4 0.0000 -1.0813 1.8214   1.8214 -1.0813 0.0000
Cl5 0.0000 1.4695 -1.1145   -1.1145 1.4695 0.0000
Cl6 0.0000 -1.4695 -1.1145   -1.1145 -1.4695 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 Cl5 Cl6
C1 1.3223 1.3071 1.3071 2.6469 2.6469
C2 1.3223 2.3237 2.3237 1.7124 1.7124
F3 1.3071 2.3237 2.1626 2.9615 3.8893
F4 1.3071 2.3237 2.1626 3.8893 2.9615
Cl5 2.6469 1.7124 2.9615 3.8893 2.9391
Cl6 2.6469 1.7124 3.8893 2.9615 2.9391
Maximum atom distance is 3.8893Å 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 120.889 C1 C2 Cl6 120.889
C2 C1 F3 124.186 C2 C1 F4 124.186
F3 C1 F4 111.629 Cl5 C2 Cl6 118.222

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