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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

HF/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 0.2708   0.0000 0.0000 0.2708
F2 0.0000 0.0000 -1.3971   0.0000 0.0000 -1.3971
F3 0.0000 1.7194 0.0860   1.7194 0.0000 0.0860
F4 -1.7194 0.0000 0.0860   0.0000 -1.7194 0.0860
F5 0.0000 -1.7194 0.0860   -1.7194 0.0000 0.0860
F6 1.7194 0.0000 0.0860   0.0000 1.7194 0.0860
Atom - Atom Distances (Å)
  Br1 F2 F3 F4 F5 F6
Br1 1.6679 1.7293 1.7293 1.7293 1.7293
F2 1.6679 2.2706 2.2706 2.2706 2.2706
F3 1.7293 2.2706 2.4316 3.4388 2.4316
F4 1.7293 2.2706 2.4316 2.4316 3.4388
F5 1.7293 2.2706 3.4388 2.4316 2.4316
F6 1.7293 2.2706 2.4316 3.4388 2.4316
Maximum atom distance is 3.4388Å 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 83.864 F2 Br1 F4 83.864
F2 Br1 F5 83.864 F2 Br1 F6 83.864
F3 Br1 F4 89.345 F3 Br1 F5 167.729
F3 Br1 F6 89.345 F4 Br1 F5 89.345
F4 Br1 F6 167.729 F5 Br1 F6 89.345

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