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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

HSEh1PBE/cc-pVDZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2360 0.7382 0.0000   0.6015 -0.4886 0.0000
C2 0.2360 -0.7382 0.0000   -0.6015 0.4886 0.0000
Cl3 -2.0058 0.8146 0.0000   2.1246 0.4161 0.0000
Cl4 2.0058 -0.8146 0.0000   -2.1246 -0.4161 0.0000
F5 0.2360 1.3528 1.0844   0.5430 -1.2613 1.0844
F6 0.2360 1.3528 -1.0844   0.5430 -1.2613 -1.0844
F7 -0.2360 -1.3528 1.0844   -0.5430 1.2613 1.0844
F8 -0.2360 -1.3528 -1.0844   -0.5430 1.2613 -1.0844
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 F5 F6 F7 F8
C1 1.5499 1.7715 2.7270 1.3328 1.3328 2.3554 2.3554
C2 1.5499 2.7270 1.7715 2.3554 2.3554 1.3328 1.3328
Cl3 1.7715 2.7270 4.3298 2.5478 2.5478 3.0010 3.0010
Cl4 2.7270 1.7715 4.3298 3.0010 3.0010 2.5478 2.5478
F5 1.3328 2.3554 2.5478 3.0010 2.1687 2.7465 3.4995
F6 1.3328 2.3554 2.5478 3.0010 2.1687 3.4995 2.7465
F7 2.3554 1.3328 3.0010 2.5478 2.7465 3.4995 2.1687
F8 2.3554 1.3328 3.0010 2.5478 3.4995 2.7465 2.1687
Maximum atom distance is 4.3298Å 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 110.201 C1 C2 F7 109.358
C1 C2 F8 109.358 C2 C1 Cl3 110.201
C2 C1 F5 109.358 C2 C1 F6 109.358
Cl3 C1 F5 109.503 Cl3 C1 F6 109.503
Cl4 C2 F7 109.503 Cl4 C2 F8 109.503
F5 C1 F6 108.896 F7 C2 F8 108.896

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