Determine point group





Number of atoms 8
Sum formula C2 H3 Cl3
Molecular weight 131.93









Rotational Analysis
Rotational Constant A (GHz) 2.3169
Rotational Constant B (GHz) 2.3169
Rotational Constant C (GHz) 1.6572
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 C 6 0.000000 0.000000 -1.826293
2 C 6 0.000000 0.000000 -0.311093
3 H 1 1.027204 0.000000 -2.191815
4 H 1 -0.513602 -0.889585 -2.191815
5 H 1 -0.513602 0.889585 -2.191815
6 Cl 17 0.848030 1.468830 0.307658
7 Cl 17 -1.696059 0.000000 0.307658
8 Cl 17 0.848030 -1.468830 0.307658









Determined point group C3v
Subgroups Cs , C3



3N representation
group E 2C3 (z) 3v -
C3v 24 0 4 Submit
Cs 24 - 4 Submit
C3 24 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