Reduction formula for point group Cs



Characters for molecular motions
Motion E h
Cartesian 3N 72 8
Translation (x,y,z) 3 1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 66 8



Decomposition into Irreducible representations
Motion A' A'' Total
Cartesian 3N 40 32 72
Translation (x,y,z) 2 1 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 37 29 66



Molecule Parameter
Number of Atoms (N) 24
Number of internal coordinates 66
Number of independant internal coordinates 37
Number of vibrational modes 66





Force field analysis


Allowed / forbidden vibronational transitions
Operator A' A'' Total
Linear (IR) 37 29 66 / 0
Quadratic (Raman) 37 29 66 / 0
IR + Raman 37 29 66 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E h
linear 1 66 8
quadratic 2 2.211 65
cubic 3 50.116 352
quartic 4 864.501 1.809
quintic 5 12.103.014 7.752
sextic 6 143.218.999 31.441


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A' A''
linear 1 37 29
quadratic 2 1.138 1.073
cubic 3 25.234 24.882
quartic 4 433.155 431.346
quintic 5 6.055.383 6.047.631
sextic 6 71.625.220 71.593.779


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