Determine point group





Number of atoms 6
Sum formula C2 H3 N
Molecular weight 41.03









Rotational Analysis
Rotational Constant A (GHz) 153.0878
Rotational Constant B (GHz) 9.1924
Rotational Constant C (GHz) 9.1924
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 C 6 0.000000 0.000000 -1.290976
2 C 6 0.000000 0.000000 0.167024
3 N 7 0.000000 0.000000 1.324024
4 H 1 1.044938 0.000000 -1.671302
5 H 1 -0.522469 0.904943 -1.671302
6 H 1 -0.522469 -0.904943 -1.671302









Determined point group C3v
Subgroups Cs , C3



3N representation
group E 2C3 (z) 3v -
C3v 18 0 4 Submit
Cs 18 - 4 Submit
C3 18 0 - 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