Reduction formula for point group Cs



Characters for molecular motions
Motion E h
Cartesian 3N 57 9
Translation (x,y,z) 3 1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 51 9



Decomposition into Irreducible representations
Motion A' A'' Total
Cartesian 3N 33 24 57
Translation (x,y,z) 2 1 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 30 21 51



Molecule Parameter
Number of Atoms (N) 19
Number of internal coordinates 51
Number of independant internal coordinates 30
Number of vibrational modes 51





Force field analysis


Allowed / forbidden vibronational transitions
Operator A' A'' Total
Linear (IR) 30 21 51 / 0
Quadratic (Raman) 30 21 51 / 0
IR + Raman 30 21 51 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E h
linear 1 51 9
quadratic 2 1.326 66
cubic 3 23.426 354
quartic 4 316.251 1.671
quintic 5 3.478.761 6.831
sextic 6 32.468.436 25.564


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A' A''
linear 1 30 21
quadratic 2 696 630
cubic 3 11.890 11.536
quartic 4 158.961 157.290
quintic 5 1.742.796 1.735.965
sextic 6 16.247.000 16.221.436


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