Determine point group





Number of atoms 16
Sum formula C8 H4 Cl4
Molecular weight 239.91









Rotational Analysis
Rotational Constant A (GHz) 0.4430
Rotational Constant B (GHz) 0.4430
Rotational Constant C (GHz) 0.2842
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 1.701666 0.000000 0.375350
2 C 6 1.175482 1.230410 0.375350
3 C 6 -1.175482 -1.230410 0.375350
4 C 6 -1.701666 0.000000 0.375350
5 C 6 1.230410 -1.175482 -0.375350
6 C 6 0.000000 -1.701666 -0.375350
7 C 6 -1.230410 1.175482 -0.375350
8 C 6 0.000000 1.701666 -0.375350
9 Cl 17 3.234807 -0.249687 1.295461
10 H 1 1.705402 2.003119 0.930352
11 H 1 -1.705402 -2.003119 0.930352
12 Cl 17 -3.234807 0.249687 1.295461
13 H 1 2.003119 -1.705402 -0.930352
14 Cl 17 -0.249687 -3.234807 -1.295461
15 H 1 -2.003119 1.705402 -0.930352
16 Cl 17 0.249687 3.234807 -1.295461









Determined point group S4
Subgroup C2



3N representation
group E S4 C2 (S4)3 -
S4 48 0 0 0 Submit
C2 48 - 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