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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

QCISD/6-31G(2df,p)


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2358 0.7347 0.0000   0.5835 -0.5049 0.0000
C2 0.2358 -0.7347 0.0000   -0.5835 0.5049 0.0000
Cl3 -1.9979 0.8045 0.0000   2.1248 0.3522 0.0000
Cl4 1.9979 -0.8045 0.0000   -2.1248 -0.3522 0.0000
F5 0.2358 1.3410 1.0796   0.4962 -1.2679 1.0796
F6 0.2358 1.3410 -1.0796   0.4962 -1.2679 -1.0796
F7 -0.2358 -1.3410 1.0796   -0.4962 1.2679 1.0796
F8 -0.2358 -1.3410 -1.0796   -0.4962 1.2679 -1.0796
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 F5 F6 F7 F8
C1 1.5433 1.7635 2.7126 1.3249 1.3249 2.3397 2.3397
C2 1.5433 2.7126 1.7635 2.3397 2.3397 1.3249 1.3249
Cl3 1.7635 2.7126 4.3076 2.5383 2.5383 2.9789 2.9789
Cl4 2.7126 1.7635 4.3076 2.9789 2.9789 2.5383 2.5383
F5 1.3249 2.3397 2.5383 2.9789 2.1593 2.7231 3.4753
F6 1.3249 2.3397 2.5383 2.9789 2.1593 3.4753 2.7231
F7 2.3397 1.3249 2.9789 2.5383 2.7231 3.4753 2.1593
F8 2.3397 1.3249 2.9789 2.5383 3.4753 2.7231 2.1593
Maximum atom distance is 4.3076Å 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 110.055 C1 C2 F7 109.084
C1 C2 F8 109.084 C2 C1 Cl3 110.055
C2 C1 F5 109.084 C2 C1 F6 109.084
Cl3 C1 F5 109.725 Cl3 C1 F6 109.725
Cl4 C2 F7 109.725 Cl4 C2 F8 109.725
F5 C1 F6 109.145 F7 C2 F8 109.145

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