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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

CID/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 0.3216   0.0000 0.0000 0.3216
F2 0.0000 0.0000 -1.4994   0.0000 0.0000 -1.4994
F3 0.0000 1.8294 0.0622   1.8294 0.0000 0.0622
F4 -1.8294 0.0000 0.0622   0.0000 -1.8294 0.0622
F5 0.0000 -1.8294 0.0622   -1.8294 0.0000 0.0622
F6 1.8294 0.0000 0.0622   0.0000 1.8294 0.0622
Atom - Atom Distances (Å)
  Br1 F2 F3 F4 F5 F6
Br1 1.8210 1.8477 1.8477 1.8477 1.8477
F2 1.8210 2.4053 2.4053 2.4053 2.4053
F3 1.8477 2.4053 2.5871 3.6588 2.5871
F4 1.8477 2.4053 2.5871 2.5871 3.6588
F5 1.8477 2.4053 3.6588 2.5871 2.5871
F6 1.8477 2.4053 2.5871 3.6588 2.5871
Maximum atom distance is 3.6588Å 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 81.931 F2 Br1 F4 81.931
F2 Br1 F5 81.931 F2 Br1 F6 81.931
F3 Br1 F4 88.871 F3 Br1 F5 163.863
F3 Br1 F6 88.871 F4 Br1 F5 88.871
F4 Br1 F6 163.863 F5 Br1 F6 88.871

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