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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

B1B95/6-31G**


Point group is C4v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Br1 0.0000 0.0000 0.2721   0.0000 0.0000 0.2721
F2 0.0000 0.0000 -1.4587   0.0000 0.0000 -1.4587
F3 0.0000 1.7761 0.1001   1.7761 0.0000 0.1001
F4 -1.7761 0.0000 0.1001   0.0000 -1.7761 0.1001
F5 0.0000 -1.7761 0.1001   -1.7761 0.0000 0.1001
F6 1.7761 0.0000 0.1001   0.0000 1.7761 0.1001
Atom - Atom Distances (Å)
  Br1 F2 F3 F4 F5 F6
Br1 1.7308 1.7844 1.7844 1.7844 1.7844
F2 1.7308 2.3631 2.3631 2.3631 2.3631
F3 1.7844 2.3631 2.5118 3.5522 2.5118
F4 1.7844 2.3631 2.5118 2.5118 3.5522
F5 1.7844 2.3631 3.5522 2.5118 2.5118
F6 1.7844 2.3631 2.5118 3.5522 2.5118
Maximum atom distance is 3.5522Å 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 84.467 F2 Br1 F4 84.467
F2 Br1 F5 84.467 F2 Br1 F6 84.467
F3 Br1 F4 89.467 F3 Br1 F5 168.934
F3 Br1 F6 89.467 F4 Br1 F5 89.467
F4 Br1 F6 168.934 F5 Br1 F6 89.467

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