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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

PBEPBE/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 0.2620   0.0000 0.0000 0.2620
F2 0.0000 0.0000 -1.5114   0.0000 0.0000 -1.5114
F3 0.0000 1.8203 0.1231   1.8203 0.0000 0.1231
F4 -1.8203 0.0000 0.1231   0.0000 -1.8203 0.1231
F5 0.0000 -1.8203 0.1231   -1.8203 0.0000 0.1231
F6 1.8203 0.0000 0.1231   0.0000 1.8203 0.1231
Atom - Atom Distances (Å)
  Br1 F2 F3 F4 F5 F6
Br1 1.7734 1.8256 1.8256 1.8256 1.8256
F2 1.7734 2.4464 2.4464 2.4464 2.4464
F3 1.8256 2.4464 2.5743 3.6407 2.5743
F4 1.8256 2.4464 2.5743 2.5743 3.6407
F5 1.8256 2.4464 3.6407 2.5743 2.5743
F6 1.8256 2.4464 2.5743 3.6407 2.5743
Maximum atom distance is 3.6407Å 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 85.634 F2 Br1 F4 85.634
F2 Br1 F5 85.634 F2 Br1 F6 85.634
F3 Br1 F4 89.668 F3 Br1 F5 171.269
F3 Br1 F6 89.668 F4 Br1 F5 89.668
F4 Br1 F6 171.269 F5 Br1 F6 89.668

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