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Geometry for CF2CCl2 (difluorodichloroethylene) 1A1 C2V

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

MP3=FULL/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.0957   1.0957 0.0000 0.0000
C2 0.0000 0.0000 -0.2339   -0.2339 0.0000 0.0000
F3 0.0000 1.0820 1.8281   1.8281 1.0820 0.0000
F4 0.0000 -1.0820 1.8281   1.8281 -1.0820 0.0000
Cl5 0.0000 1.4721 -1.1199   -1.1199 1.4721 0.0000
Cl6 0.0000 -1.4721 -1.1199   -1.1199 -1.4721 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 Cl5 Cl6
C1 1.3295 1.3065 1.3065 2.6600 2.6600
C2 1.3295 2.3286 2.3286 1.7182 1.7182
F3 1.3065 2.3286 2.1639 2.9737 3.9005
F4 1.3065 2.3286 2.1639 3.9005 2.9737
Cl5 2.6600 1.7182 2.9737 3.9005 2.9441
Cl6 2.6600 1.7182 3.9005 2.9737 2.9441
Maximum atom distance is 3.9005Å 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 121.044 C1 C2 Cl6 121.044
C2 C1 F3 124.096 C2 C1 F4 124.096
F3 C1 F4 111.809 Cl5 C2 Cl6 117.913

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