Reduction formula for point group Cs



Characters for molecular motions
Motion E h
Cartesian 3N 78 6
Translation (x,y,z) 3 1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 72 6



Decomposition into Irreducible representations
Motion A' A'' Total
Cartesian 3N 42 36 78
Translation (x,y,z) 2 1 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 39 33 72



Molecule Parameter
Number of Atoms (N) 26
Number of internal coordinates 72
Number of independant internal coordinates 39
Number of vibrational modes 72





Force field analysis


Allowed / forbidden vibronational transitions
Operator A' A'' Total
Linear (IR) 39 33 72 / 0
Quadratic (Raman) 39 33 72 / 0
IR + Raman 39 33 72 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E h
linear 1 72 6
quadratic 2 2.628 54
cubic 3 64.824 254
quartic 4 1.215.450 1.380
quintic 5 18.474.840 5.466
sextic 6 237.093.780 22.946


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A' A''
linear 1 39 33
quadratic 2 1.341 1.287
cubic 3 32.539 32.285
quartic 4 608.415 607.035
quintic 5 9.240.153 9.234.687
sextic 6 118.558.363 118.535.417


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