Reduction formula for point group Cs



Characters for molecular motions
Motion E h
Cartesian 3N 99 3
Translation (x,y,z) 3 1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 93 3



Decomposition into Irreducible representations
Motion A' A'' Total
Cartesian 3N 51 48 99
Translation (x,y,z) 2 1 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 48 45 93



Molecule Parameter
Number of Atoms (N) 33
Number of internal coordinates 93
Number of independant internal coordinates 48
Number of vibrational modes 93





Force field analysis


Allowed / forbidden vibronational transitions
Operator A' A'' Total
Linear (IR) 48 45 93 / 0
Quadratic (Raman) 48 45 93 / 0
IR + Raman 48 45 93 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E h
linear 1 93 3
quadratic 2 4.371 51
cubic 3 138.415 145
quartic 4 3.321.960 1.320
quintic 5 64.446.024 3.576
sextic 6 1.052.618.392 23.128


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A' A''
linear 1 48 45
quadratic 2 2.211 2.160
cubic 3 69.280 69.135
quartic 4 1.661.640 1.660.320
quintic 5 32.224.800 32.221.224
sextic 6 526.320.760 526.297.632


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