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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

CCD/6-31+G**


Point group is C4v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Br1 0.0000 0.0000 0.2711   0.0000 0.0000 0.2711
F2 0.0000 0.0000 -1.4577   0.0000 0.0000 -1.4577
F3 0.0000 1.7831 0.1009   0.0000 1.7831 0.1009
F4 -1.7831 0.0000 0.1009   -1.7831 0.0000 0.1009
F5 0.0000 -1.7831 0.1009   0.0000 -1.7831 0.1009
F6 1.7831 0.0000 0.1009   1.7831 0.0000 0.1009
Atom - Atom Distances (Å)
  Br1 F2 F3 F4 F5 F6
Br1 1.7287 1.7912 1.7912 1.7912 1.7912
F2 1.7287 2.3683 2.3683 2.3683 2.3683
F3 1.7912 2.3683 2.5217 3.5663 2.5217
F4 1.7912 2.3683 2.5217 2.5217 3.5663
F5 1.7912 2.3683 3.5663 2.5217 2.5217
F6 1.7912 2.3683 2.5217 3.5663 2.5217
Maximum atom distance is 3.5663Å 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 84.549 F2 Br1 F4 84.549
F2 Br1 F5 84.549 F2 Br1 F6 84.549
F3 Br1 F4 89.483 F3 Br1 F5 169.098
F3 Br1 F6 89.483 F4 Br1 F5 89.483
F4 Br1 F6 169.098 F5 Br1 F6 89.483

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