Determine point group





Number of atoms 17
Sum formula C5 H8 Cl4
Molecular weight 207.94









Rotational Analysis
Rotational Constant A (GHz) 0.7906
Rotational Constant B (GHz) 0.5614
Rotational Constant C (GHz) 0.5614
Ray's asymmetry parameter -1.0000
Classification : Symmetric top (prolate)




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 0.000000
2 C 6 1.256997 0.000000 0.888831
3 C 6 -1.256996 0.000000 0.888831
4 C 6 0.000000 1.256996 -0.888831
5 C 6 0.000000 -1.256997 -0.888831
6 H 1 2.168443 0.000000 0.282863
7 Cl 17 1.301929 1.458517 1.951929
8 H 1 1.284236 -0.884207 1.533320
9 H 1 -2.168443 0.000000 0.282864
10 Cl 17 -1.301929 -1.458517 1.951930
11 H 1 -1.284236 0.884207 1.533321
12 Cl 17 -1.458517 1.301929 -1.951930
13 H 1 0.000000 2.168443 -0.282864
14 H 1 0.884207 1.284236 -1.533321
15 H 1 -0.884207 -1.284236 -1.533320
16 Cl 17 1.458516 -1.301929 -1.951930
17 H 1 0.000000 -2.168443 -0.282863









Determined point group S4
Subgroup C2



3N representation
group E S4 C2 (S4)3 -
S4 51 -1 -1 -1 Submit
C2 51 - -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