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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

PBEPBEultrafine/6-31G*


Point group is C4v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.2074   0.0000 0.0000 0.2074
F2 0.0000 0.0000 -1.3903   0.0000 0.0000 -1.3903
F3 0.0000 1.6611 0.2554   1.6608 0.0297 0.2554
F4 -1.6611 0.0000 0.2554   0.0297 -1.6608 0.2554
F5 0.0000 -1.6611 0.2554   -1.6608 -0.0297 0.2554
F6 1.6611 0.0000 0.2554   -0.0297 1.6608 0.2554
Atom - Atom Distances (Å)
  S1 F2 F3 F4 F5 F6
S1 1.5977 1.6618 1.6618 1.6618 1.6618
F2 1.5977 2.3383 2.3383 2.3383 2.3383
F3 1.6618 2.3383 2.3491 3.3221 2.3491
F4 1.6618 2.3383 2.3491 2.3491 3.3221
F5 1.6618 2.3383 3.3221 2.3491 2.3491
F6 1.6618 2.3383 2.3491 3.3221 2.3491
Maximum atom distance is 3.3221Å 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 91.656 F2 S1 F4 91.656
F2 S1 F5 91.656 F2 S1 F6 91.656
F3 S1 F4 89.952 F3 S1 F5 176.687
F3 S1 F6 89.952 F4 S1 F5 89.952
F4 S1 F6 176.687 F5 S1 F6 89.952

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