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Geometry for CF2ClCF2Cl (1,2-Dichloro-1,1,2,2-tetrafluoroethane) 1Ag C2H

1910171554
InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8 INChIKey=DDMOUSALMHHKOS-UHFFFAOYSA-N

B3LYP/cc-pVTZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2371 0.7427 0.0000   0.5983 -0.4999 0.0000
C2 0.2371 -0.7427 0.0000   -0.5983 0.4999 0.0000
Cl3 -2.0172 0.8278 0.0000   2.1466 0.3825 0.0000
Cl4 2.0172 -0.8278 0.0000   -2.1466 -0.3825 0.0000
F5 0.2371 1.3598 1.0863   0.5288 -1.2750 1.0863
F6 0.2371 1.3598 -1.0863   0.5288 -1.2750 -1.0863
F7 -0.2371 -1.3598 1.0863   -0.5288 1.2750 1.0863
F8 -0.2371 -1.3598 -1.0863   -0.5288 1.2750 -1.0863
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 F5 F6 F7 F8
C1 1.5592 1.7821 2.7474 1.3363 1.3363 2.3665 2.3665
C2 1.5592 2.7474 1.7821 2.3665 2.3665 1.3363 1.3363
Cl3 1.7821 2.7474 4.3608 2.5582 2.5582 3.0223 3.0223
Cl4 2.7474 1.7821 4.3608 3.0223 3.0223 2.5582 2.5582
F5 1.3363 2.3665 2.5582 3.0223 2.1726 2.7606 3.5130
F6 1.3363 2.3665 2.5582 3.0223 2.1726 3.5130 2.7606
F7 2.3665 1.3363 3.0223 2.5582 2.7606 3.5130 2.1726
F8 2.3665 1.3363 3.0223 2.5582 3.5130 2.7606 2.1726
Maximum atom distance is 4.3608Å between atoms Cl3 and Cl4.
picture of 1,2-Dichloro-1,1,2,2-tetrafluoroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl4 110.441 C1 C2 F7 109.393
C1 C2 F8 109.393 C2 C1 Cl3 110.441
C2 C1 F5 109.393 C2 C1 F6 109.393
Cl3 C1 F5 109.412 Cl3 C1 F6 109.412
Cl4 C2 F7 109.412 Cl4 C2 F8 109.412
F5 C1 F6 108.764 F7 C2 F8 108.764

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