Reduction formula for point group Cs



Characters for molecular motions
Motion E h
Cartesian 3N 78 8
Translation (x,y,z) 3 1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 72 8



Decomposition into Irreducible representations
Motion A' A'' Total
Cartesian 3N 43 35 78
Translation (x,y,z) 2 1 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 40 32 72



Molecule Parameter
Number of Atoms (N) 26
Number of internal coordinates 72
Number of independant internal coordinates 40
Number of vibrational modes 72





Force field analysis


Allowed / forbidden vibronational transitions
Operator A' A'' Total
Linear (IR) 40 32 72 / 0
Quadratic (Raman) 40 32 72 / 0
IR + Raman 40 32 72 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E h
linear 1 72 8
quadratic 2 2.628 68
cubic 3 64.824 376
quartic 4 1.215.450 2.010
quintic 5 18.474.840 8.856
sextic 6 237.093.780 37.268


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A' A''
linear 1 40 32
quadratic 2 1.348 1.280
cubic 3 32.600 32.224
quartic 4 608.730 606.720
quintic 5 9.241.848 9.232.992
sextic 6 118.565.524 118.528.256


Literature




Character tables for chemically important point groups Character table for point group Cs Jacobs University Bremen

Last update Mai, 23rd 2018 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement