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Geometry for CHF2CHF2 (1,1,2,2-tetrafluoroethane) 1AG C2H

1910171554
InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H INChIKey=WXGNWUVNYMJENI-UHFFFAOYSA-N

QCISD/6-311G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2440 0.7198 0.0000   0.6825 0.0000 -0.3345
C2 0.2440 -0.7198 0.0000   -0.6825 0.0000 0.3345
H3 -1.3363 0.7830 0.0000   0.6048 0.0000 -1.4258
H4 1.3363 -0.7830 0.0000   -0.6048 0.0000 1.4258
F5 0.2440 1.3401 1.0983   1.3604 1.0983 0.0698
F6 0.2440 1.3401 -1.0983   1.3604 -1.0983 0.0698
F7 -0.2440 -1.3401 1.0983   -1.3604 1.0983 -0.0698
F8 -0.2440 -1.3401 -1.0983   -1.3604 -1.0983 -0.0698
Atom - Atom Distances (Å)
  C1 C2 H3 H4 F5 F6 F7 F8
C1 1.5201 1.0941 2.1808 1.3525 1.3525 2.3344 2.3344
C2 1.5201 2.1808 1.0941 2.3344 2.3344 1.3525 1.3525
H3 1.0941 2.1808 3.0976 2.0035 2.0035 2.6281 2.6281
H4 2.1808 1.0941 3.0976 2.6281 2.6281 2.0035 2.0035
F5 1.3525 2.3344 2.0035 2.6281 2.1966 2.7243 3.4996
F6 1.3525 2.3344 2.0035 2.6281 2.1966 3.4996 2.7243
F7 2.3344 1.3525 2.6281 2.0035 2.7243 3.4996 2.1966
F8 2.3344 1.3525 2.6281 2.0035 3.4996 2.7243 2.1966
Maximum atom distance is 3.4996Å between atoms F5 and F8.
picture of 1,1,2,2-tetrafluoroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F7 108.574 C1 C2 F8 108.574
C2 C1 F5 108.574 C2 C1 F6 108.574
F5 C1 F6 108.595 F7 C2 F8 108.595
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.037 C2 C1 H3 112.037
H3 C1 F5 109.495 H3 C1 F6 109.495
H4 C2 F7 109.495 H4 C2 F8 109.495

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