Reduction formula for point group Cs



Characters for molecular motions
Motion E h
Cartesian 3N 75 9
Translation (x,y,z) 3 1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 69 9



Decomposition into Irreducible representations
Motion A' A'' Total
Cartesian 3N 42 33 75
Translation (x,y,z) 2 1 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 39 30 69



Molecule Parameter
Number of Atoms (N) 25
Number of internal coordinates 69
Number of independant internal coordinates 39
Number of vibrational modes 69





Force field analysis


Allowed / forbidden vibronational transitions
Operator A' A'' Total
Linear (IR) 39 30 69 / 0
Quadratic (Raman) 39 30 69 / 0
IR + Raman 39 30 69 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E h
linear 1 69 9
quadratic 2 2.415 75
cubic 3 57.155 435
quartic 4 1.028.790 2.310
quintic 5 15.020.334 10.422
sextic 6 185.250.786 43.738


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A' A''
linear 1 39 30
quadratic 2 1.245 1.170
cubic 3 28.795 28.360
quartic 4 515.550 513.240
quintic 5 7.515.378 7.504.956
sextic 6 92.647.262 92.603.524


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