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Geometry for SF5 (Sulfur pentafluoride) 2A1 C4V

1910171554
InChI=1S/F5S/c1-6(2,3,4)5 INChIKey=HAQZDUWRNKKMQY-UHFFFAOYSA-N

PBE1PBE/6-31G(2df,p)


Point group is C4v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.2036   0.0000 0.0000 0.2036
F2 0.0000 0.0000 -1.3432   0.0000 0.0000 -1.3432
F3 0.0000 1.6011 0.2453   1.5929 -0.1617 0.2453
F4 -1.6011 0.0000 0.2453   -0.1617 -1.5929 0.2453
F5 0.0000 -1.6011 0.2453   -1.5929 0.1617 0.2453
F6 1.6011 0.0000 0.2453   0.1617 1.5929 0.2453
Atom - Atom Distances (Å)
  S1 F2 F3 F4 F5 F6
S1 1.5468 1.6016 1.6016 1.6016 1.6016
F2 1.5468 2.2554 2.2554 2.2554 2.2554
F3 1.6016 2.2554 2.2642 3.2021 2.2642
F4 1.6016 2.2554 2.2642 2.2642 3.2021
F5 1.6016 2.2554 3.2021 2.2642 2.2642
F6 1.6016 2.2554 2.2642 3.2021 2.2642
Maximum atom distance is 3.2021Å between atoms F3 and F5.
picture of Sulfur pentafluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 S1 F3 91.490 F2 S1 F4 91.490
F2 S1 F5 91.490 F2 S1 F6 91.490
F3 S1 F4 89.961 F3 S1 F5 177.020
F3 S1 F6 89.961 F4 S1 F5 89.961
F4 S1 F6 177.020 F5 S1 F6 89.961

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