Reduction formula for point group Cs



Characters for molecular motions
Motion E h
Cartesian 3N 60 4
Translation (x,y,z) 3 1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 54 4



Decomposition into Irreducible representations
Motion A' A'' Total
Cartesian 3N 32 28 60
Translation (x,y,z) 2 1 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 29 25 54



Molecule Parameter
Number of Atoms (N) 20
Number of internal coordinates 54
Number of independant internal coordinates 29
Number of vibrational modes 54





Force field analysis


Allowed / forbidden vibronational transitions
Operator A' A'' Total
Linear (IR) 29 25 54 / 0
Quadratic (Raman) 29 25 54 / 0
IR + Raman 29 25 54 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E h
linear 1 54 4
quadratic 2 1.485 35
cubic 3 27.720 120
quartic 4 395.010 610
quintic 5 4.582.116 1.856
sextic 6 45.057.474 7.134


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A' A''
linear 1 29 25
quadratic 2 760 725
cubic 3 13.920 13.800
quartic 4 197.810 197.200
quintic 5 2.291.986 2.290.130
sextic 6 22.532.304 22.525.170


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