Determine point group





Number of atoms 7
Sum formula ClF5 S
Molecular weight 161.93









Rotational Analysis
Rotational Constant A (GHz) 2.5435
Rotational Constant B (GHz) 1.7175
Rotational Constant C (GHz) 1.7175
Ray's asymmetry parameter -1.0000
Classification : Symmetric top (prolate)




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 S 16 0.000000 0.000000 -0.259031
2 Cl 17 0.000000 0.000000 1.857869
3 F 9 1.616970 0.000000 -0.279521
4 F 9 0.000000 1.616970 -0.279521
5 F 9 -1.616970 0.000000 -0.279521
6 F 9 0.000000 -1.616970 -0.279521
7 F 9 0.000000 0.000000 -1.865631









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 21 3 -3 5 3 Submit
Cs 21 - - 5 - Submit
Cs 21 - - - 3 Submit
C2 21 - -3 - - Submit
C4 21 3 -3 - - Submit
C2v 21 - -3 5 - Submit
C2v 21 - -3 - 3 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