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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/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 0.3029   0.0000 0.0000 0.3029
F2 0.0000 0.0000 -1.4393   0.0000 0.0000 -1.4393
F3 0.0000 1.7673 0.0654   1.7673 0.0000 0.0654
F4 -1.7673 0.0000 0.0654   0.0000 -1.7673 0.0654
F5 0.0000 -1.7673 0.0654   -1.7673 0.0000 0.0654
F6 1.7673 0.0000 0.0654   0.0000 1.7673 0.0654
Atom - Atom Distances (Å)
  Br1 F2 F3 F4 F5 F6
Br1 1.7422 1.7832 1.7832 1.7832 1.7832
F2 1.7422 2.3210 2.3210 2.3210 2.3210
F3 1.7832 2.3210 2.4993 3.5345 2.4993
F4 1.7832 2.3210 2.4993 2.4993 3.5345
F5 1.7832 2.3210 3.5345 2.4993 2.4993
F6 1.7832 2.3210 2.4993 3.5345 2.4993
Maximum atom distance is 3.5345Å 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 82.345 F2 Br1 F4 82.345
F2 Br1 F5 82.345 F2 Br1 F6 82.345
F3 Br1 F4 88.983 F3 Br1 F5 164.690
F3 Br1 F6 88.983 F4 Br1 F5 88.983
F4 Br1 F6 164.690 F5 Br1 F6 88.983

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