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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/3-21G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2505 0.7146 0.0000   0.6748 0.0000 -0.3435
C2 0.2505 -0.7146 0.0000   -0.6748 0.0000 0.3435
H3 -1.3403 0.7416 0.0000   0.5564 0.0000 -1.4272
H4 1.3403 -0.7416 0.0000   -0.5564 0.0000 1.4272
F5 0.2505 1.3449 1.1315   1.3663 1.1315 0.0690
F6 0.2505 1.3449 -1.1315   1.3663 -1.1315 0.0690
F7 -0.2505 -1.3449 1.1315   -1.3663 1.1315 -0.0690
F8 -0.2505 -1.3449 -1.1315   -1.3663 -1.1315 -0.0690
Atom - Atom Distances (Å)
  C1 C2 H3 H4 F5 F6 F7 F8
C1 1.5145 1.0901 2.1566 1.3887 1.3887 2.3498 2.3498
C2 1.5145 2.1566 1.0901 2.3498 2.3498 1.3887 1.3887
H3 1.0901 2.1566 3.0635 2.0432 2.0432 2.6118 2.6118
H4 2.1566 1.0901 3.0635 2.6118 2.6118 2.0432 2.0432
F5 1.3887 2.3498 2.0432 2.6118 2.2629 2.7360 3.5506
F6 1.3887 2.3498 2.0432 2.6118 2.2629 3.5506 2.7360
F7 2.3498 1.3887 2.6118 2.0432 2.7360 3.5506 2.2629
F8 2.3498 1.3887 2.6118 2.0432 3.5506 2.7360 2.2629
Maximum atom distance is 3.5506Å 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 107.998 C1 C2 F8 107.998
C2 C1 F5 107.998 C2 C1 F6 107.998
F5 C1 F6 109.130 F7 C2 F8 109.130
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 110.738 C2 C1 H3 110.738
H3 C1 F5 110.450 H3 C1 F6 110.450
H4 C2 F7 110.450 H4 C2 F8 110.450

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