Determine point group





Number of atoms 9
Sum formula C3 H6
Molecular weight 42.05









Rotational Analysis
Rotational Constant A (GHz) 20.1506
Rotational Constant B (GHz) 20.1506
Rotational Constant C (GHz) 12.5858
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 0.870500 0.000000 0.000000
2 C 6 -0.435250 -0.753875 0.000000
3 C 6 -0.435250 0.753875 0.000000
4 H 1 1.459179 0.000000 0.909590
5 H 1 1.459179 0.000000 -0.909590
6 H 1 -0.729589 -1.263686 0.909590
7 H 1 -0.729589 -1.263686 -0.909590
8 H 1 -0.729589 1.263686 0.909590
9 H 1 -0.729589 1.263686 -0.909590









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 27 0 -1 3 0 3 Submit
Cs 27 - - 3 - - Submit
Cs 27 - - - - 3 Submit
C2 27 - -1 - - - Submit
C3 27 0 - - - - Submit
D3 27 0 -1 - - - Submit
C2v 27 - -1 3 - 3 Submit
C3v 27 0 - - - 3 Submit
C3h 27 0 - 3 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