Determine point group





Number of atoms 12
Sum formula C6 H6
Molecular weight 78.05









Rotational Analysis
Rotational Constant A (GHz) 6.9659
Rotational Constant B (GHz) 5.3830
Rotational Constant C (GHz) 5.3830
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 0.878843 0.000000 0.779600
2 C 6 -0.439421 -0.761100 0.779600
3 C 6 -0.439421 0.761100 0.779600
4 C 6 0.878843 0.000000 -0.779600
5 C 6 -0.439421 -0.761100 -0.779600
6 C 6 -0.439421 0.761100 -0.779600
7 H 1 1.673757 0.000000 1.513359
8 H 1 -0.836878 -1.449516 1.513359
9 H 1 -0.836878 1.449516 1.513359
10 H 1 1.673757 0.000000 -1.513359
11 H 1 -0.836878 -1.449516 -1.513359
12 H 1 -0.836878 1.449516 -1.513359









Determined point group D3h
Subgroups
(Number of different orientations)
Cs (2) , C2 , C3 , D3 , C2v , C3v , C3h



3N representation
group E 2C3 (z) 3C'2 h (xy) 2S3 3v -
D3h 36 0 0 0 0 4 Submit
Cs 36 - - 0 - - Submit
Cs 36 - - - - 4 Submit
C2 36 - 0 - - - Submit
C3 36 0 - - - - Submit
D3 36 0 0 - - - Submit
C2v 36 - 0 0 - 4 Submit
C3v 36 0 - - - 4 Submit
C3h 36 0 - 0 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