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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

MP2/6-31+G**


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7705   0.0000 -0.7705 0.0000
C2 0.0000 0.0000 -0.7705   0.0000 0.7705 -0.0000
F3 0.0000 1.2641 1.2249   1.2641 -1.2249 0.0000
F4 -1.0948 -0.6321 1.2249   -0.6321 -1.2249 1.0948
F5 1.0948 -0.6321 1.2249   -0.6321 -1.2249 -1.0948
F6 0.0000 -1.2641 -1.2249   -1.2641 1.2249 -0.0000
F7 -1.0948 0.6321 -1.2249   0.6321 1.2249 1.0948
F8 1.0948 0.6321 -1.2249   0.6321 1.2249 -1.0948
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 F6 F7 F8
C1 1.5411 1.3433 1.3433 1.3433 2.3621 2.3621 2.3621
C2 1.5411 2.3621 2.3621 2.3621 1.3433 1.3433 1.3433
F3 1.3433 2.3621 2.1895 2.1895 3.5204 2.7567 2.7567
F4 1.3433 2.3621 2.1895 2.1895 2.7567 2.7567 3.5204
F5 1.3433 2.3621 2.1895 2.1895 2.7567 3.5204 2.7567
F6 2.3621 1.3433 3.5204 2.7567 2.7567 2.1895 2.1895
F7 2.3621 1.3433 2.7567 2.7567 3.5204 2.1895 2.1895
F8 2.3621 1.3433 2.7567 3.5204 2.7567 2.1895 2.1895
Maximum atom distance is 3.5204Å between atoms F3 and F6.
picture of hexafluoroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F6 109.768 C1 C2 F7 109.768
C1 C2 F8 109.768 C2 C1 F3 109.768
C2 C1 F4 109.768 C2 C1 F5 109.768
F3 C1 F4 109.173 F3 C1 F5 109.173
F4 C1 F5 109.173 F6 C2 F7 109.173
F6 C2 F8 109.173 F7 C2 F8 109.173

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