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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

CCD/6-311G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2402 0.7365 0.0000   0.5995 -0.4906 0.0000
C2 0.2402 -0.7365 0.0000   -0.5995 0.4906 0.0000
Cl3 -1.9944 0.8228 0.0000   2.1232 0.3829 0.0000
Cl4 1.9944 -0.8228 0.0000   -2.1232 -0.3829 0.0000
F5 0.2402 1.3469 1.0821   0.5243 -1.2637 1.0821
F6 0.2402 1.3469 -1.0821   0.5243 -1.2637 -1.0821
F7 -0.2402 -1.3469 1.0821   -0.5243 1.2637 1.0821
F8 -0.2402 -1.3469 -1.0821   -0.5243 1.2637 -1.0821
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 F5 F6 F7 F8
C1 1.5493 1.7563 2.7248 1.3321 1.3321 2.3476 2.3476
C2 1.5493 2.7248 1.7563 2.3476 2.3476 1.3321 1.3321
Cl3 1.7563 2.7248 4.3149 2.5375 2.5375 2.9926 2.9926
Cl4 2.7248 1.7563 4.3149 2.9926 2.9926 2.5375 2.5375
F5 1.3321 2.3476 2.5375 2.9926 2.1642 2.7363 3.4887
F6 1.3321 2.3476 2.5375 2.9926 2.1642 3.4887 2.7363
F7 2.3476 1.3321 2.9926 2.5375 2.7363 3.4887 2.1642
F8 2.3476 1.3321 2.9926 2.5375 3.4887 2.7363 2.1642
Maximum atom distance is 4.3149Å 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 110.882 C1 C2 F7 108.896
C1 C2 F8 108.896 C2 C1 Cl3 110.882
C2 C1 F5 108.896 C2 C1 F6 108.896
Cl3 C1 F5 109.736 Cl3 C1 F6 109.736
Cl4 C2 F7 109.736 Cl4 C2 F8 109.736
F5 C1 F6 108.654 F7 C2 F8 108.654

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