Determine point group





Number of atoms 7
Sum formula C3 H2 Cl2
Molecular weight 107.95









Rotational Analysis
Rotational Constant A (GHz) 13.1546
Rotational Constant B (GHz) 1.0413
Rotational Constant C (GHz) 1.0031
Ray's asymmetry parameter -0.9937
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 0.000000 0.000000 0.643049
2 C 6 -0.491324 -1.201122 0.656911
3 C 6 0.491324 1.201122 0.656911
4 Cl 17 0.103974 -2.497081 -0.373086
5 Cl 17 -0.103974 2.497081 -0.373086
6 H 1 -1.305349 -1.518312 1.295081
7 H 1 1.305349 1.518312 1.295081









Determined point group C2



3N representation
group E C2 -
C2 21 -1 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