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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

B97D3/6-31+G**


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2421 0.7492 0.0000   0.5646 -0.5487 0.0000
C2 0.2421 -0.7492 0.0000   -0.5646 0.5487 0.0000
Cl3 -2.0250 0.8454 0.0000   2.1852 0.2008 0.0000
Cl4 2.0250 -0.8454 0.0000   -2.1852 -0.2008 0.0000
F5 0.2421 1.3741 1.0990   0.4292 -1.3276 1.0990
F6 0.2421 1.3741 -1.0990   0.4292 -1.3276 -1.0990
F7 -0.2421 -1.3741 1.0990   -0.4292 1.3276 1.0990
F8 -0.2421 -1.3741 -1.0990   -0.4292 1.3276 -1.0990
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 F5 F6 F7 F8
C1 1.5746 1.7855 2.7718 1.3539 1.3539 2.3908 2.3908
C2 1.5746 2.7718 1.7855 2.3908 2.3908 1.3539 1.3539
Cl3 1.7855 2.7718 4.3888 2.5744 2.5744 3.0517 3.0517
Cl4 2.7718 1.7855 4.3888 3.0517 3.0517 2.5744 2.5744
F5 1.3539 2.3908 2.5744 3.0517 2.1981 2.7905 3.5523
F6 1.3539 2.3908 2.5744 3.0517 2.1981 3.5523 2.7905
F7 2.3908 1.3539 3.0517 2.5744 2.7905 3.5523 2.1981
F8 2.3908 1.3539 3.0517 2.5744 3.5523 2.7905 2.1981
Maximum atom distance is 4.3888Å 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 110.582 C1 C2 F7 109.476
C1 C2 F8 109.476 C2 C1 Cl3 110.582
C2 C1 F5 109.476 C2 C1 F6 109.476
Cl3 C1 F5 109.173 Cl3 C1 F6 109.173
Cl4 C2 F7 109.173 Cl4 C2 F8 109.173
F5 C1 F6 108.935 F7 C2 F8 108.935

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