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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

B3PW91/3-21G*


Point group is C4v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Br1 0.0000 0.0000 0.2722   0.0000 0.0000 0.2722
F2 0.0000 0.0000 -1.4774   0.0000 0.0000 -1.4774
F3 0.0000 1.7719 0.1047   1.7719 0.0000 0.1047
F4 -1.7719 0.0000 0.1047   0.0000 -1.7719 0.1047
F5 0.0000 -1.7719 0.1047   -1.7719 0.0000 0.1047
F6 1.7719 0.0000 0.1047   0.0000 1.7719 0.1047
Atom - Atom Distances (Å)
  Br1 F2 F3 F4 F5 F6
Br1 1.7495 1.7798 1.7798 1.7798 1.7798
F2 1.7495 2.3754 2.3754 2.3754 2.3754
F3 1.7798 2.3754 2.5059 3.5438 2.5059
F4 1.7798 2.3754 2.5059 2.5059 3.5438
F5 1.7798 2.3754 3.5438 2.5059 2.5059
F6 1.7798 2.3754 2.5059 3.5438 2.5059
Maximum atom distance is 3.5438Å 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 84.601 F2 Br1 F4 84.601
F2 Br1 F5 84.601 F2 Br1 F6 84.601
F3 Br1 F4 89.493 F3 Br1 F5 169.201
F3 Br1 F6 89.493 F4 Br1 F5 89.493
F4 Br1 F6 169.201 F5 Br1 F6 89.493

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