Reduction formula for point group Cs



Characters for molecular motions
Motion E h
Cartesian 3N 48 8
Translation (x,y,z) 3 1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 42 8



Decomposition into Irreducible representations
Motion A' A'' Total
Cartesian 3N 28 20 48
Translation (x,y,z) 2 1 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 25 17 42



Molecule Parameter
Number of Atoms (N) 16
Number of internal coordinates 42
Number of independant internal coordinates 25
Number of vibrational modes 42





Force field analysis


Allowed / forbidden vibronational transitions
Operator A' A'' Total
Linear (IR) 25 17 42 / 0
Quadratic (Raman) 25 17 42 / 0
IR + Raman 25 17 42 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E h
linear 1 42 8
quadratic 2 903 53
cubic 3 13.244 256
quartic 4 148.995 1.095
quintic 5 1.370.754 4.056
sextic 6 10.737.573 13.803


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A' A''
linear 1 25 17
quadratic 2 478 425
cubic 3 6.750 6.494
quartic 4 75.045 73.950
quintic 5 687.405 683.349
sextic 6 5.375.688 5.361.885


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