Determine point group





Number of atoms 5
Sum formula C3 HN
Molecular weight 51.01









Rotational Analysis
Rotational Constant A (GHz) Not defined
Rotational Constant B (GHz) 4.5494
Rotational Constant C (GHz) 4.5494
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 -2.959620
2 C 6 0.000000 0.000000 -1.897620
3 C 6 0.000000 0.000000 -0.691620
4 C 6 0.000000 0.000000 0.684380
5 N 7 0.000000 0.000000 1.845380









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



Γ3N representation
group E 2C ∞ σv
C22C32 C42C52(C5)22C62(Cn)k
C∞v 15 -5 0 5 8.0902 -3.0902 10 5+ 10cos(2πk/n) 5 Submit
Cs 15 - - - - - - - - 5 Submit
C2 15 -5 - - - - - - - - Submit
C3 15 - 0 - - - - - - - Submit
C4 15 -5 - 5 - - - - - - Submit
C6 15 -5 0 - - - 10 - - - Submit
C2v 15 -5 - - - - - - - 5 Submit
C3v 15 - 0 - - - - - - 5 Submit
C4v 15 -5 - 5 - - - - - 5 Submit
C6v 15 -5 0 - - - 10 - - 5 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