Determine point group





Number of atoms 7
Sum formula XeF6
Molecular weight 245.89









Rotational Analysis
Rotational Constant A (GHz) 2.1160
Rotational Constant B (GHz) 2.1160
Rotational Constant C (GHz) 1.7243
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 -0.202680
2 F 9 1.442123 0.000000 1.075448
3 F 9 -0.721061 -1.248915 1.075448
4 F 9 -0.721061 1.248915 1.075448
5 F 9 -1.750039 0.000000 -0.606386
6 F 9 0.875020 1.515578 -0.606386
7 F 9 0.875020 -1.515578 -0.606386









Determined point group C3v
Subgroups Cs , C3



3N representation
group E 2C3 (z) 3v -
C3v 21 0 3 Submit
Cs 21 - 3 Submit
C3 21 0 - Submit









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