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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

MP2=FULL/6-31G(2df,p)


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2418 0.7158 0.0000   0.0314 -0.2398 0.7158
C2 0.2418 -0.7158 0.0000   -0.0314 0.2398 -0.7158
H3 -1.3322 0.7628 0.0000   0.1727 -1.3210 0.7628
H4 1.3322 -0.7628 0.0000   -0.1727 1.3210 -0.7628
F5 0.2418 1.3266 1.0930   1.0524 0.3815 1.3266
F6 0.2418 1.3266 -1.0930   -1.1152 0.0981 1.3266
F7 -0.2418 -1.3266 1.0930   1.1152 -0.0981 -1.3266
F8 -0.2418 -1.3266 -1.0930   -1.0524 -0.3815 -1.3266
Atom - Atom Distances (Å)
  C1 C2 H3 H4 F5 F6 F7 F8
C1 1.5111 1.0914 2.1596 1.3423 1.3423 2.3165 2.3165
C2 1.5111 2.1596 1.0914 2.3165 2.3165 1.3423 1.3423
H3 1.0914 2.1596 3.0703 1.9976 1.9976 2.5980 2.5980
H4 2.1596 1.0914 3.0703 2.5980 2.5980 1.9976 1.9976
F5 1.3423 2.3165 1.9976 2.5980 2.1861 2.6970 3.4717
F6 1.3423 2.3165 1.9976 2.5980 2.1861 3.4717 2.6970
F7 2.3165 1.3423 2.5980 1.9976 2.6970 3.4717 2.1861
F8 2.3165 1.3423 2.5980 1.9976 3.4717 2.6970 2.1861
Maximum atom distance is 3.4717Å 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 108.408 C1 C2 F8 108.408
C2 C1 F5 108.408 C2 C1 F6 108.408
F5 C1 F6 109.034 F7 C2 F8 109.034
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 111.137 C2 C1 H3 111.137
H3 C1 F5 109.902 H3 C1 F6 109.902
H4 C2 F7 109.902 H4 C2 F8 109.902

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