Reduction formula for point group Cs



Characters for molecular motions
Motion E h
Cartesian 3N 78 26
Translation (x,y,z) 3 1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 72 26



Decomposition into Irreducible representations
Motion A' A'' Total
Cartesian 3N 52 26 78
Translation (x,y,z) 2 1 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 49 23 72



Molecule Parameter
Number of Atoms (N) 26
Number of internal coordinates 72
Number of independant internal coordinates 49
Number of vibrational modes 72





Force field analysis


Allowed / forbidden vibronational transitions
Operator A' A'' Total
Linear (IR) 49 23 72 / 0
Quadratic (Raman) 49 23 72 / 0
IR + Raman 49 23 72 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E h
linear 1 72 26
quadratic 2 2.628 374
cubic 3 64.824 3.874
quartic 4 1.215.450 32.100
quintic 5 18.474.840 225.030
sextic 6 237.093.780 1.381.730


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A' A''
linear 1 49 23
quadratic 2 1.501 1.127
cubic 3 34.349 30.475
quartic 4 623.775 591.675
quintic 5 9.349.935 9.124.905
sextic 6 119.237.755 117.856.025


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