Determine point group





Number of atoms 6
Sum formula BrF5
Molecular weight 173.91









Rotational Analysis
Rotational Constant A (GHz) 3.0916
Rotational Constant B (GHz) 3.0916
Rotational Constant C (GHz) 2.1307
Ray's asymmetry parameter 1.0000
Classification : Symmetric top (oblate)




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 Br 35 0.000000 0.000000 -0.254768
2 F 9 0.000000 0.000000 1.434232
3 F 9 1.766699 0.000000 -0.093985
4 F 9 0.000000 -1.766699 -0.093985
5 F 9 -1.766699 0.000000 -0.093985
6 F 9 0.000000 1.766699 -0.093985









Determined point group C4v
Subgroups
(Number of different orientations)
Cs (2) , C2 , C4 , C2v (2)



3N representation
group E 2C4 (z) C2 2v 2d -
C4v 18 2 -2 4 2 Submit
Cs 18 - - 4 - Submit
Cs 18 - - - 2 Submit
C2 18 - -2 - - Submit
C4 18 2 -2 - - Submit
C2v 18 - -2 4 - Submit
C2v 18 - -2 - 2 Submit









Determine point group from cartesian coordinates Character tables for chemically important point groups Determine point group from internal coordinates

Last update Mai, 23rd 2018 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement