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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

MP2/CEP-31G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2461 0.7479 0.0000   0.6308 -0.4712 0.0000
C2 0.2461 -0.7479 0.0000   -0.6308 0.4712 0.0000
Cl3 -2.0101 0.8344 0.0000   0.1519 -2.1711 0.0000
Cl4 2.0101 -0.8344 0.0000   -0.1519 2.1711 0.0000
F5 0.2461 1.3706 1.0976   1.3778 -0.2024 1.0976
F6 0.2461 1.3706 -1.0976   1.3778 -0.2024 -1.0976
F7 -0.2461 -1.3706 1.0976   -1.3778 0.2024 1.0976
F8 -0.2461 -1.3706 -1.0976   -1.3778 0.2024 -1.0976
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 F5 F6 F7 F8
C1 1.5748 1.7661 2.7558 1.3546 1.3546 2.3860 2.3860
C2 1.5748 2.7558 1.7661 2.3860 2.3860 1.3546 1.3546
Cl3 1.7661 2.7558 4.3528 2.5658 2.5658 3.0296 3.0296
Cl4 2.7558 1.7661 4.3528 3.0296 3.0296 2.5658 2.5658
F5 1.3546 2.3860 2.5658 3.0296 2.1953 2.7851 3.5463
F6 1.3546 2.3860 2.5658 3.0296 2.1953 3.5463 2.7851
F7 2.3860 1.3546 3.0296 2.5658 2.7851 3.5463 2.1953
F8 2.3860 1.3546 3.0296 2.5658 3.5463 2.7851 2.1953
Maximum atom distance is 4.3528Å 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 111.021 C1 C2 F7 108.849
C1 C2 F8 108.849 C2 C1 Cl3 111.021
C2 C1 F5 108.849 C2 C1 F6 108.849
Cl3 C1 F5 109.906 Cl3 C1 F6 109.906
Cl4 C2 F7 109.906 Cl4 C2 F8 109.906
F5 C1 F6 108.253 F7 C2 F8 108.253

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