Reduction formula for point group Cs



Characters for molecular motions
Motion E h
Cartesian 3N 42 6
Translation (x,y,z) 3 1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 36 6



Decomposition into Irreducible representations
Motion A' A'' Total
Cartesian 3N 24 18 42
Translation (x,y,z) 2 1 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 21 15 36



Molecule Parameter
Number of Atoms (N) 14
Number of internal coordinates 36
Number of independant internal coordinates 21
Number of vibrational modes 36





Force field analysis


Allowed / forbidden vibronational transitions
Operator A' A'' Total
Linear (IR) 21 15 36 / 0
Quadratic (Raman) 21 15 36 / 0
IR + Raman 21 15 36 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E h
linear 1 36 6
quadratic 2 666 36
cubic 3 8.436 146
quartic 4 82.251 561
quintic 5 658.008 1.812
sextic 6 4.496.388 5.552


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A' A''
linear 1 21 15
quadratic 2 351 315
cubic 3 4.291 4.145
quartic 4 41.406 40.845
quintic 5 329.910 328.098
sextic 6 2.250.970 2.245.418


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