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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

B3LYP/CEP-31G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2608 0.7306 0.0000   0.0349 -0.2584 0.7306
C2 0.2608 -0.7306 0.0000   -0.0349 0.2584 -0.7306
H3 -1.3571 0.8158 0.0000   0.1817 -1.3449 0.8158
H4 1.3571 -0.8158 0.0000   -0.1817 1.3449 -0.8158
F5 0.2608 1.3895 1.1441   1.0988 0.4116 1.3895
F6 0.2608 1.3895 -1.1441   -1.1687 0.1053 1.3895
F7 -0.2608 -1.3895 1.1441   1.1687 -0.1053 -1.3895
F8 -0.2608 -1.3895 -1.1441   -1.0988 -0.4116 -1.3895
Atom - Atom Distances (Å)
  C1 C2 H3 H4 F5 F6 F7 F8
C1 1.5515 1.0996 2.2381 1.4195 1.4195 2.4091 2.4091
C2 1.5515 2.2381 1.0996 2.4091 2.4091 1.4195 1.4195
H3 1.0996 2.2381 3.1669 2.0629 2.0629 2.7156 2.7156
H4 2.2381 1.0996 3.1669 2.7156 2.7156 2.0629 2.0629
F5 1.4195 2.4091 2.0629 2.7156 2.2881 2.8276 3.6374
F6 1.4195 2.4091 2.0629 2.7156 2.2881 3.6374 2.8276
F7 2.4091 1.4195 2.7156 2.0629 2.8276 3.6374 2.2881
F8 2.4091 1.4195 2.7156 2.0629 3.6374 2.8276 2.2881
Maximum atom distance is 3.6374Å 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 108.281 C1 C2 F8 108.281
C2 C1 F5 108.281 C2 C1 F6 108.281
F5 C1 F6 107.400 F7 C2 F8 107.400
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 114.090 C2 C1 H3 114.090
H3 C1 F5 109.288 H3 C1 F6 109.288
H4 C2 F7 109.288 H4 C2 F8 109.288

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