Reduction formula for point group Cs



Characters for molecular motions
Motion E h
Cartesian 3N 48 16
Translation (x,y,z) 3 1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 42 16



Decomposition into Irreducible representations
Motion A' A'' Total
Cartesian 3N 32 16 48
Translation (x,y,z) 2 1 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 29 13 42



Molecule Parameter
Number of Atoms (N) 16
Number of internal coordinates 42
Number of independant internal coordinates 29
Number of vibrational modes 42





Force field analysis


Allowed / forbidden vibronational transitions
Operator A' A'' Total
Linear (IR) 29 13 42 / 0
Quadratic (Raman) 29 13 42 / 0
IR + Raman 29 13 42 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E h
linear 1 42 16
quadratic 2 903 149
cubic 3 13.244 1.024
quartic 4 148.995 5.735
quintic 5 1.370.754 27.568
sextic 6 10.737.573 117.483


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A' A''
linear 1 29 13
quadratic 2 526 377
cubic 3 7.134 6.110
quartic 4 77.365 71.630
quintic 5 699.161 671.593
sextic 6 5.427.528 5.310.045


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