Reduction formula for point group Cs



Characters for molecular motions
Motion E h
Cartesian 3N 36 4
Translation (x,y,z) 3 1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 30 4



Decomposition into Irreducible representations
Motion A' A'' Total
Cartesian 3N 20 16 36
Translation (x,y,z) 2 1 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 17 13 30



Molecule Parameter
Number of Atoms (N) 12
Number of internal coordinates 30
Number of independant internal coordinates 17
Number of vibrational modes 30





Force field analysis


Allowed / forbidden vibronational transitions
Operator A' A'' Total
Linear (IR) 17 13 30 / 0
Quadratic (Raman) 17 13 30 / 0
IR + Raman 17 13 30 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E h
linear 1 30 4
quadratic 2 465 23
cubic 3 4.960 72
quartic 4 40.920 256
quintic 5 278.256 680
sextic 6 1.623.160 1.904


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A' A''
linear 1 17 13
quadratic 2 244 221
cubic 3 2.516 2.444
quartic 4 20.588 20.332
quintic 5 139.468 138.788
sextic 6 812.532 810.628


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