Reduction formula for point group Cs



Characters for molecular motions
Motion E h
Cartesian 3N 108 0
Translation (x,y,z) 3 1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 102 0



Decomposition into Irreducible representations
Motion A' A'' Total
Cartesian 3N 54 54 108
Translation (x,y,z) 2 1 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 51 51 102



Molecule Parameter
Number of Atoms (N) 36
Number of internal coordinates 102
Number of independant internal coordinates 51
Number of vibrational modes 102





Force field analysis


Allowed / forbidden vibronational transitions
Operator A' A'' Total
Linear (IR) 51 51 102 / 0
Quadratic (Raman) 51 51 102 / 0
IR + Raman 51 51 102 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E h
linear 1 102 0
quadratic 2 5.253 51
cubic 3 182.104 0
quartic 4 4.780.230 1.326
quintic 5 101.340.876 0
sextic 6 1.807.245.622 23.426


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A' A''
linear 1 51 51
quadratic 2 2.652 2.601
cubic 3 91.052 91.052
quartic 4 2.390.778 2.389.452
quintic 5 50.670.438 50.670.438
sextic 6 903.634.524 903.611.098


Literature




Character tables for chemically important point groups Character table for point group Cs Constructor University Bremen

Last update November, 13th 2023 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement