Determine point group





Number of atoms 6
Sum formula C4 H2
Molecular weight 50.02









Rotational Analysis
Rotational Constant A (GHz) Not defined
Rotational Constant B (GHz) 4.3926
Rotational Constant C (GHz) 4.3926
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 -2.952000
2 C 6 0.000000 0.000000 -1.894000
3 C 6 0.000000 0.000000 -0.689000
4 C 6 0.000000 0.000000 0.689000
5 C 6 0.000000 0.000000 1.894000
6 H 1 0.000000 0.000000 2.952000









Determined point group : Dh



3N representation
E 2C v i 2S C'2
18 6+ 12cos() 6 0 0 0








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