Determine point group





Number of atoms 5
Sum formula XeF4
Molecular weight 207.90









Rotational Analysis
Rotational Constant A (GHz) 3.5340
Rotational Constant B (GHz) 3.5340
Rotational Constant C (GHz) 1.7670
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 Xe 54 0.000000 0.000000 0.000000
2 F 9 1.940000 0.000000 0.000000
3 F 9 0.000000 -1.940000 0.000000
4 F 9 0.000000 1.940000 0.000000
5 F 9 -1.940000 0.000000 0.000000









Determined point group D4h
Subgroups
(Number of different orientations)
Cs (3) , Ci , C2 (3) , C4 , D2 (2) , D4 , C2v (4) , C4v , C2h (3) , C4h , D2h (2) , D2d (2) , S4



3N representation
group E 2C4 (z) C2 2C'2 2C''2 i 2S4 h 2v 2d -
D4h 15 1 -1 -3 -1 -3 -1 5 3 1 Submit
Cs 15 - - - - - - 5 - - Submit
Cs 15 - - - - - - - 3 - Submit
Cs 15 - - - - - - - - 1 Submit
Ci 15 - - - - -3 - - - - Submit
C2 15 - -1 - - - - - - - Submit
C2 15 - - -3 - - - - - - Submit
C2 15 - - - -1 - - - - - Submit
C4 15 1 -1 - - - - - - - Submit
D2 15 - -1 -3 - - - - - - Submit
D2 15 - -1 - -1 - - - - - Submit
D4 15 1 -1 -3 -1 - - - - - Submit
C2v 15 - -1 - - - - - 3 - Submit
C2v 15 - -1 - - - - - - 1 Submit
C2v 15 - - -3 - - - 5 3 - Submit
C2v 15 - - - -1 - - 5 - 1 Submit
C4v 15 1 -1 - - - - - 3 1 Submit
C2h 15 - -1 - - -3 - 5 - - Submit
C2h 15 - - -3 - -3 - - 3 - Submit
C2h 15 - - - -1 -3 - - - 1 Submit
C4h 15 1 -1 - - -3 -1 5 - - Submit
D2h 15 - -1 -3 - -3 - 5 3 - Submit
D2h 15 - -1 - -1 -3 - 5 - 1 Submit
D2d 15 - -1 -3 - - -1 - - 1 Submit
D2d 15 - -1 - -1 - -1 - 3 - Submit
S4 15 - -1 - - - -1 - - - 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