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Geometry for C2F6 (hexafluoroethane) 1A1g D3D

1910171554
InChI=1S/C2F6/c3-1(4,5)2(6,7)8 INChIKey=WMIYKQLTONQJES-UHFFFAOYSA-N

BLYP/6-311G*


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7826   0.0000 -0.7826 -0.0000
C2 0.0000 0.0000 -0.7826   0.0000 0.7826 0.0000
F3 0.0000 1.2732 1.2463   1.2732 -1.2463 -0.0000
F4 -1.1026 -0.6366 1.2463   -0.6366 -1.2463 1.1026
F5 1.1026 -0.6366 1.2463   -0.6366 -1.2463 -1.1026
F6 0.0000 -1.2732 -1.2463   -1.2732 1.2463 0.0000
F7 -1.1026 0.6366 -1.2463   0.6366 1.2463 1.1026
F8 1.1026 0.6366 -1.2463   0.6366 1.2463 -1.1026
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 F6 F7 F8
C1 1.5652 1.3550 1.3550 1.3550 2.3953 2.3953 2.3953
C2 1.5652 2.3953 2.3953 2.3953 1.3550 1.3550 1.3550
F3 1.3550 2.3953 2.2052 2.2052 3.5632 2.7989 2.7989
F4 1.3550 2.3953 2.2052 2.2052 2.7989 2.7989 3.5632
F5 1.3550 2.3953 2.2052 2.2052 2.7989 3.5632 2.7989
F6 2.3953 1.3550 3.5632 2.7989 2.7989 2.2052 2.2052
F7 2.3953 1.3550 2.7989 2.7989 3.5632 2.2052 2.2052
F8 2.3953 1.3550 2.7989 3.5632 2.7989 2.2052 2.2052
Maximum atom distance is 3.5632Å between atoms F4 and F8.
picture of hexafluoroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F6 110.010 C1 C2 F7 110.010
C1 C2 F8 110.010 C2 C1 F3 110.010
C2 C1 F4 110.010 C2 C1 F5 110.010
F3 C1 F4 108.927 F3 C1 F5 108.927
F4 C1 F5 108.927 F6 C2 F7 108.927
F6 C2 F8 108.927 F7 C2 F8 108.927

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