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Geometry for CF2CCl2 (difluorodichloroethylene) 1A1 C2V

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

B3LYP/aug-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 1.0937   1.0937 0.0000 0.0000
C2 0.0000 0.0000 -0.2336   -0.2336 0.0000 0.0000
F3 0.0000 1.0871 1.8345   1.8345 1.0871 0.0000
F4 0.0000 -1.0871 1.8345   1.8345 -1.0871 0.0000
Cl5 0.0000 1.4774 -1.1230   -1.1230 1.4774 0.0000
Cl6 0.0000 -1.4774 -1.1230   -1.1230 -1.4774 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 Cl5 Cl6
C1 1.3272 1.3155 1.3155 2.6639 2.6639
C2 1.3272 2.3364 2.3364 1.7245 1.7245
F3 1.3155 2.3364 2.1741 2.9831 3.9145
F4 1.3155 2.3364 2.1741 3.9145 2.9831
Cl5 2.6639 1.7245 2.9831 3.9145 2.9548
Cl6 2.6639 1.7245 3.9145 2.9831 2.9548
Maximum atom distance is 3.9145Å 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 121.047 C1 C2 Cl6 121.047
C2 C1 F3 124.274 C2 C1 F4 124.274
F3 C1 F4 111.452 Cl5 C2 Cl6 117.905

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