Determine point group





Number of atoms 6
Sum formula C2 H2 Cl2
Molecular weight 95.95









Rotational Analysis
Rotational Constant A (GHz) 11.6319
Rotational Constant B (GHz) 2.4284
Rotational Constant C (GHz) 2.0090
Ray's asymmetry parameter -0.9128
Classification : Asymmetric top




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 C 6 -0.663040 0.000000 1.010779
2 C 6 0.663040 0.000000 1.010779
3 H 1 -1.215903 0.000000 1.939564
4 H 1 1.215903 0.000000 1.939564
5 Cl 17 -1.667976 0.000000 -0.402759
6 Cl 17 1.667976 0.000000 -0.402759









Determined point group C2v
Subgroups
(Number of different orientations)
Cs (2) , C2



3N representation
group E C2 (z) v(xz) v(yz) -
C2v 18 0 6 0 Submit
Cs 18 - 6 - Submit
Cs 18 - - 0 Submit
C2 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