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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/3-21G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2411 0.7283 0.0000   0.5976 -0.4811 0.0000
C2 0.2411 -0.7283 0.0000   -0.5976 0.4811 0.0000
Cl3 -2.0068 0.7814 0.0000   2.1098 0.4320 0.0000
Cl4 2.0068 -0.7814 0.0000   -2.1098 -0.4320 0.0000
F5 0.2411 1.3514 1.1138   0.5304 -1.2661 1.1138
F6 0.2411 1.3514 -1.1138   0.5304 -1.2661 -1.1138
F7 -0.2411 -1.3514 1.1138   -0.5304 1.2661 1.1138
F8 -0.2411 -1.3514 -1.1138   -0.5304 1.2661 -1.1138
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 F5 F6 F7 F8
C1 1.5344 1.7665 2.7078 1.3643 1.3643 2.3592 2.3592
C2 1.5344 2.7078 1.7665 2.3592 2.3592 1.3643 1.3643
Cl3 1.7665 2.7078 4.3071 2.5727 2.5727 2.9844 2.9844
Cl4 2.7078 1.7665 4.3071 2.9844 2.9844 2.5727 2.5727
F5 1.3643 2.3592 2.5727 2.9844 2.2276 2.7455 3.5355
F6 1.3643 2.3592 2.5727 2.9844 2.2276 3.5355 2.7455
F7 2.3592 1.3643 2.9844 2.5727 2.7455 3.5355 2.2276
F8 2.3592 1.3643 2.9844 2.5727 3.5355 2.7455 2.2276
Maximum atom distance is 4.3071Å 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 110.042 C1 C2 F7 108.811
C1 C2 F8 108.811 C2 C1 Cl3 110.042
C2 C1 F5 108.811 C2 C1 F6 108.811
Cl3 C1 F5 109.853 Cl3 C1 F6 109.853
Cl4 C2 F7 109.853 Cl4 C2 F8 109.853
F5 C1 F6 109.447 F7 C2 F8 109.447

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