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Geometry for CF2CCl2 (difluorodichloroethylene) 1A1 C2V

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

wB97X-D/CEP-121G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.1025   1.1025 0.0000 0.0000
C2 0.0000 0.0000 -0.2354   -0.2354 0.0000 0.0000
F3 0.0000 1.0918 1.8443   1.8443 1.0918 0.0000
F4 0.0000 -1.0918 1.8443   1.8443 -1.0918 0.0000
Cl5 0.0000 1.4852 -1.1294   -1.1294 1.4852 0.0000
Cl6 0.0000 -1.4852 -1.1294   -1.1294 -1.4852 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 Cl5 Cl6
C1 1.3379 1.3200 1.3200 2.6809 2.6809
C2 1.3379 2.3489 2.3489 1.7335 1.7335
F3 1.3200 2.3489 2.1836 2.9996 3.9349
F4 1.3200 2.3489 2.1836 3.9349 2.9996
Cl5 2.6809 1.7335 2.9996 3.9349 2.9703
Cl6 2.6809 1.7335 3.9349 2.9996 2.9703
Maximum atom distance is 3.9349Å 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 124.194 C2 C1 F4 124.194
F3 C1 F4 111.612 Cl5 C2 Cl6 117.906

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