Determine point group





Number of atoms 6
Sum formula C4 HF
Molecular weight 68.01









Rotational Analysis
Rotational Constant A (GHz) Not defined
Rotational Constant B (GHz) 2.0414
Rotational Constant C (GHz) 2.0414
Classification : Symmetric top (prolate)




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 H 1 0.000000 0.000000 -3.784070
2 C 6 0.000000 0.000000 -2.728070
3 C 6 0.000000 0.000000 -1.525070
4 C 6 0.000000 0.000000 -0.154070
5 C 6 0.000000 0.000000 1.048930
6 F 9 0.000000 0.000000 2.321930









Determined point group C∞v
Subgroups Cs
C2,C3,C4,C5,C6,…,C
C2v,C3v,C4v,C5v,C6v,…



Γ3N representation
group E 2C ∞ σv
C22 C32 C42 C52 (C5)22 C62 (Cn)k
C∞v 18 -6 0 6 9.7082 -3.7082 12 6+ 12cos(2πk/n) 6 Submit
Cs 18 - - - - - - - - 6 Submit
C2 18 -6 - - - - - - - - Submit
C3 18 - 0 - - - - - - - Submit
C4 18 -6 - 6 - - - - - - Submit
C6 18 -6 0 - - - 12 - - - Submit
C2v 18 -6 - - - - - - - 6 Submit
C3v 18 - 0 - - - - - - 6 Submit
C4v 18 -6 - 6 - - - - - 6 Submit
C6v 18 -6 0 - - - 12 - - 6 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