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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

CID/6-311G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2374 0.7326 0.0000   0.5654 -0.5229 0.0000
C2 0.2374 -0.7326 0.0000   -0.5654 0.5229 0.0000
Cl3 -1.9826 0.8243 0.0000   2.1324 0.2507 0.0000
Cl4 1.9826 -0.8243 0.0000   -2.1324 -0.2507 0.0000
F5 0.2374 1.3365 1.0714   0.4466 -1.2818 1.0714
F6 0.2374 1.3365 -1.0714   0.4466 -1.2818 -1.0714
F7 -0.2374 -1.3365 1.0714   -0.4466 1.2818 1.0714
F8 -0.2374 -1.3365 -1.0714   -0.4466 1.2818 -1.0714
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 F5 F6 F7 F8
C1 1.5403 1.7475 2.7115 1.3183 1.3183 2.3300 2.3300
C2 1.5403 2.7115 1.7475 2.3300 2.3300 1.3183 1.3183
Cl3 1.7475 2.7115 4.2942 2.5177 2.5177 2.9769 2.9769
Cl4 2.7115 1.7475 4.2942 2.9769 2.9769 2.5177 2.5177
F5 1.3183 2.3300 2.5177 2.9769 2.1428 2.7148 3.4585
F6 1.3183 2.3300 2.5177 2.9769 2.1428 3.4585 2.7148
F7 2.3300 1.3183 2.9769 2.5177 2.7148 3.4585 2.1428
F8 2.3300 1.3183 2.9769 2.5177 3.4585 2.7148 2.1428
Maximum atom distance is 4.2942Å 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 110.965 C1 C2 F7 108.945
C1 C2 F8 108.945 C2 C1 Cl3 110.965
C2 C1 F5 108.945 C2 C1 F6 108.945
Cl3 C1 F5 109.615 Cl3 C1 F6 109.615
Cl4 C2 F7 109.615 Cl4 C2 F8 109.615
F5 C1 F6 108.718 F7 C2 F8 108.718

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