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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/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 0.2733   0.0000 0.0000 0.2733
F2 0.0000 0.0000 -1.4847   0.0000 0.0000 -1.4847
F3 0.0000 1.7796 0.1055   1.7796 0.0000 0.1055
F4 -1.7796 0.0000 0.1055   0.0000 -1.7796 0.1055
F5 0.0000 -1.7796 0.1055   -1.7796 0.0000 0.1055
F6 1.7796 0.0000 0.1055   0.0000 1.7796 0.1055
Atom - Atom Distances (Å)
  Br1 F2 F3 F4 F5 F6
Br1 1.7580 1.7875 1.7875 1.7875 1.7875
F2 1.7580 2.3866 2.3866 2.3866 2.3866
F3 1.7875 2.3866 2.5168 3.5592 2.5168
F4 1.7875 2.3866 2.5168 2.5168 3.5592
F5 1.7875 2.3866 3.5592 2.5168 2.5168
F6 1.7875 2.3866 2.5168 3.5592 2.5168
Maximum atom distance is 3.5592Å 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 84.612 F2 Br1 F4 84.612
F2 Br1 F5 84.612 F2 Br1 F6 84.612
F3 Br1 F4 89.495 F3 Br1 F5 169.223
F3 Br1 F6 89.495 F4 Br1 F5 89.495
F4 Br1 F6 169.223 F5 Br1 F6 89.495

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