Reduction formula for point group Cs



Characters for molecular motions
Motion E h
Cartesian 3N 87 9
Translation (x,y,z) 3 1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 81 9



Decomposition into Irreducible representations
Motion A' A'' Total
Cartesian 3N 48 39 87
Translation (x,y,z) 2 1 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 45 36 81



Molecule Parameter
Number of Atoms (N) 29
Number of internal coordinates 81
Number of independant internal coordinates 45
Number of vibrational modes 81





Force field analysis


Allowed / forbidden vibronational transitions
Operator A' A'' Total
Linear (IR) 45 36 81 / 0
Quadratic (Raman) 45 36 81 / 0
IR + Raman 45 36 81 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E h
linear 1 81 9
quadratic 2 3.321 81
cubic 3 91.881 489
quartic 4 1.929.501 2.781
quintic 5 32.801.517 13.221
sextic 6 470.155.077 59.229


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A' A''
linear 1 45 36
quadratic 2 1.701 1.620
cubic 3 46.185 45.696
quartic 4 966.141 963.360
quintic 5 16.407.369 16.394.148
sextic 6 235.107.153 235.047.924


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