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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

PBEPBE/cc-pVTZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2374 0.7462 0.0000   0.5994 -0.5038 0.0000
C2 0.2374 -0.7462 0.0000   -0.5994 0.5038 0.0000
Cl3 -2.0229 0.8203 0.0000   2.1482 0.3879 0.0000
Cl4 2.0229 -0.8203 0.0000   -2.1482 -0.3879 0.0000
F5 0.2374 1.3685 1.0946   0.5308 -1.2835 1.0946
F6 0.2374 1.3685 -1.0946   0.5308 -1.2835 -1.0946
F7 -0.2374 -1.3685 1.0946   -0.5308 1.2835 1.0946
F8 -0.2374 -1.3685 -1.0946   -0.5308 1.2835 -1.0946
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 F5 F6 F7 F8
C1 1.5660 1.7871 2.7500 1.3457 1.3457 2.3811 2.3811
C2 1.5660 2.7500 1.7871 2.3811 2.3811 1.3457 1.3457
Cl3 1.7871 2.7500 4.3658 2.5705 2.5705 3.0294 3.0294
Cl4 2.7500 1.7871 4.3658 3.0294 3.0294 2.5705 2.5705
F5 1.3457 2.3811 2.5705 3.0294 2.1892 2.7778 3.5368
F6 1.3457 2.3811 2.5705 3.0294 2.1892 3.5368 2.7778
F7 2.3811 1.3457 3.0294 2.5705 2.7778 3.5368 2.1892
F8 2.3811 1.3457 3.0294 2.5705 3.5368 2.7778 2.1892
Maximum atom distance is 4.3658Å 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 110.026 C1 C2 F7 109.497
C1 C2 F8 109.497 C2 C1 Cl3 110.026
C2 C1 F5 109.497 C2 C1 F6 109.497
Cl3 C1 F5 109.468 Cl3 C1 F6 109.468
Cl4 C2 F7 109.468 Cl4 C2 F8 109.468
F5 C1 F6 108.865 F7 C2 F8 108.865

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