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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

B3PW91/6-31G*


Point group is C4v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Br1 0.0000 0.0000 0.2684   0.0000 0.0000 0.2684
F2 0.0000 0.0000 -1.4720   0.0000 0.0000 -1.4720
F3 0.0000 1.7874 0.1071   0.0000 1.7874 0.1071
F4 -1.7874 0.0000 0.1071   -1.7874 0.0000 0.1071
F5 0.0000 -1.7874 0.1071   0.0000 -1.7874 0.1071
F6 1.7874 0.0000 0.1071   1.7874 0.0000 0.1071
Atom - Atom Distances (Å)
  Br1 F2 F3 F4 F5 F6
Br1 1.7404 1.7947 1.7947 1.7947 1.7947
F2 1.7404 2.3851 2.3851 2.3851 2.3851
F3 1.7947 2.3851 2.5278 3.5749 2.5278
F4 1.7947 2.3851 2.5278 2.5278 3.5749
F5 1.7947 2.3851 3.5749 2.5278 2.5278
F6 1.7947 2.3851 2.5278 3.5749 2.5278
Maximum atom distance is 3.5749Å 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 84.844 F2 Br1 F4 84.844
F2 Br1 F5 84.844 F2 Br1 F6 84.844
F3 Br1 F4 89.537 F3 Br1 F5 169.688
F3 Br1 F6 89.537 F4 Br1 F5 89.537
F4 Br1 F6 169.688 F5 Br1 F6 89.537

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