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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

B3LYP/TZVP


Point group is C4v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Br1 0.0000 0.0000 0.2719   0.0000 0.0000 0.2719
F2 0.0000 0.0000 -1.4726   0.0000 0.0000 -1.4726
F3 0.0000 1.7966 0.1038   1.7966 0.0000 0.1038
F4 -1.7966 0.0000 0.1038   0.0000 -1.7966 0.1038
F5 0.0000 -1.7966 0.1038   -1.7966 0.0000 0.1038
F6 1.7966 0.0000 0.1038   0.0000 1.7966 0.1038
Atom - Atom Distances (Å)
  Br1 F2 F3 F4 F5 F6
Br1 1.7445 1.8044 1.8044 1.8044 1.8044
F2 1.7445 2.3901 2.3901 2.3901 2.3901
F3 1.8044 2.3901 2.5408 3.5932 2.5408
F4 1.8044 2.3901 2.5408 2.5408 3.5932
F5 1.8044 2.3901 3.5932 2.5408 2.5408
F6 1.8044 2.3901 2.5408 3.5932 2.5408
Maximum atom distance is 3.5932Å 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 84.655 F2 Br1 F4 84.655
F2 Br1 F5 84.655 F2 Br1 F6 84.655
F3 Br1 F4 89.503 F3 Br1 F5 169.309
F3 Br1 F6 89.503 F4 Br1 F5 89.503
F4 Br1 F6 169.309 F5 Br1 F6 89.503

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