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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

CCSD/cc-pVTZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2434 0.7196 0.0000   0.6825 0.0000 -0.3337
C2 0.2434 -0.7196 0.0000   -0.6825 0.0000 0.3337
H3 -1.3303 0.7781 0.0000   0.6010 0.0000 -1.4191
H4 1.3303 -0.7781 0.0000   -0.6010 0.0000 1.4191
F5 0.2434 1.3391 1.0919   1.3592 1.0919 0.0696
F6 0.2434 1.3391 -1.0919   1.3592 -1.0919 0.0696
F7 -0.2434 -1.3391 1.0919   -1.3592 1.0919 -0.0696
F8 -0.2434 -1.3391 -1.0919   -1.3592 -1.0919 -0.0696
Atom - Atom Distances (Å)
  C1 C2 H3 H4 F5 F6 F7 F8
C1 1.5193 1.0885 2.1725 1.3464 1.3464 2.3303 2.3303
C2 1.5193 2.1725 1.0885 2.3303 2.3303 1.3464 1.3464
H3 1.0885 2.1725 3.0823 1.9958 1.9958 2.6184 2.6184
H4 2.1725 1.0885 3.0823 2.6184 2.6184 1.9958 1.9958
F5 1.3464 2.3303 1.9958 2.6184 2.1837 2.7220 3.4897
F6 1.3464 2.3303 1.9958 2.6184 2.1837 3.4897 2.7220
F7 2.3303 1.3464 2.6184 1.9958 2.7220 3.4897 2.1837
F8 2.3303 1.3464 2.6184 1.9958 3.4897 2.7220 2.1837
Maximum atom distance is 3.4897Å 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 108.664 C1 C2 F8 108.664
C2 C1 F5 108.664 C2 C1 F6 108.664
F5 C1 F6 108.378 F7 C2 F8 108.378
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 111.765 C2 C1 H3 111.765
H3 C1 F5 109.649 H3 C1 F6 109.649
H4 C2 F7 109.649 H4 C2 F8 109.649

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