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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

CCSD(T)/cc-pVTZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2379 0.7387 0.0000   0.5956 -0.4975 0.0000
C2 0.2379 -0.7387 0.0000   -0.5956 0.4975 0.0000
Cl3 -2.0020 0.8141 0.0000   2.1274 0.3807 0.0000
Cl4 2.0020 -0.8141 0.0000   -2.1274 -0.3807 0.0000
F5 0.2379 1.3521 1.0842   0.5208 -1.2702 1.0842
F6 0.2379 1.3521 -1.0842   0.5208 -1.2702 -1.0842
F7 -0.2379 -1.3521 1.0842   -0.5208 1.2702 1.0842
F8 -0.2379 -1.3521 -1.0842   -0.5208 1.2702 -1.0842
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 F5 F6 F7 F8
C1 1.5521 1.7657 2.7255 1.3335 1.3335 2.3551 2.3551
C2 1.5521 2.7255 1.7657 2.3551 2.3551 1.3335 1.3335
Cl3 1.7657 2.7255 4.3224 2.5460 2.5460 2.9966 2.9966
Cl4 2.7255 1.7657 4.3224 2.9966 2.9966 2.5460 2.5460
F5 1.3335 2.3551 2.5460 2.9966 2.1683 2.7457 3.4986
F6 1.3335 2.3551 2.5460 2.9966 2.1683 3.4986 2.7457
F7 2.3551 1.3335 2.9966 2.5460 2.7457 3.4986 2.1683
F8 2.3551 1.3335 2.9966 2.5460 3.4986 2.7457 2.1683
Maximum atom distance is 4.3224Å 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 110.301 C1 C2 F7 109.175
C1 C2 F8 109.175 C2 C1 Cl3 110.301
C2 C1 F5 109.175 C2 C1 F6 109.175
Cl3 C1 F5 109.686 Cl3 C1 F6 109.686
Cl4 C2 F7 109.686 Cl4 C2 F8 109.686
F5 C1 F6 108.790 F7 C2 F8 108.790

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