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Geometry for BrF5 (bromine pentafluoride) 1A1 C4V

1910171554
InChI=1S/BrF5/c2-1(3,4,5)6 INChIKey=XHVUVQAANZKEKF-UHFFFAOYSA-N

wB97X-D/6-31+G**


Point group is C4v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Br1 0.0000 0.0000 0.2561   0.0000 0.0000 0.2561
F2 0.0000 0.0000 -1.4843   0.0000 0.0000 -1.4843
F3 0.0000 1.7897 0.1221   1.7897 0.0000 0.1221
F4 -1.7897 0.0000 0.1221   0.0000 -1.7897 0.1221
F5 0.0000 -1.7897 0.1221   -1.7897 0.0000 0.1221
F6 1.7897 0.0000 0.1221   0.0000 1.7897 0.1221
Atom - Atom Distances (Å)
  Br1 F2 F3 F4 F5 F6
Br1 1.7403 1.7947 1.7947 1.7947 1.7947
F2 1.7403 2.4049 2.4049 2.4049 2.4049
F3 1.7947 2.4049 2.5310 3.5794 2.5310
F4 1.7947 2.4049 2.5310 2.5310 3.5794
F5 1.7947 2.4049 3.5794 2.5310 2.5310
F6 1.7947 2.4049 2.5310 3.5794 2.5310
Maximum atom distance is 3.5794Å between atoms F3 and F5.
picture of bromine pentafluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 Br1 F3 85.720 F2 Br1 F4 85.720
F2 Br1 F5 85.720 F2 Br1 F6 85.720
F3 Br1 F4 89.681 F3 Br1 F5 171.440
F3 Br1 F6 89.681 F4 Br1 F5 89.681
F4 Br1 F6 171.440 F5 Br1 F6 89.681

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