Reduction formula for point group Cs



Characters for molecular motions
Motion E h
Cartesian 3N 42 14
Translation (x,y,z) 3 1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 36 14



Decomposition into Irreducible representations
Motion A' A'' Total
Cartesian 3N 28 14 42
Translation (x,y,z) 2 1 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 25 11 36



Molecule Parameter
Number of Atoms (N) 14
Number of internal coordinates 36
Number of independant internal coordinates 25
Number of vibrational modes 36





Force field analysis


Allowed / forbidden vibronational transitions
Operator A' A'' Total
Linear (IR) 25 11 36 / 0
Quadratic (Raman) 25 11 36 / 0
IR + Raman 25 11 36 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E h
linear 1 36 14
quadratic 2 666 116
cubic 3 8.436 714
quartic 4 82.251 3.601
quintic 5 658.008 15.652
sextic 6 4.496.388 60.528


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A' A''
linear 1 25 11
quadratic 2 391 275
cubic 3 4.575 3.861
quartic 4 42.926 39.325
quintic 5 336.830 321.178
sextic 6 2.278.458 2.217.930


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