Reduction formula for point group Cs



Characters for molecular motions
Motion E h
Cartesian 3N 42 10
Translation (x,y,z) 3 1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 36 10



Decomposition into Irreducible representations
Motion A' A'' Total
Cartesian 3N 26 16 42
Translation (x,y,z) 2 1 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 23 13 36



Molecule Parameter
Number of Atoms (N) 14
Number of internal coordinates 36
Number of independant internal coordinates 23
Number of vibrational modes 36





Force field analysis


Allowed / forbidden vibronational transitions
Operator A' A'' Total
Linear (IR) 23 13 36 / 0
Quadratic (Raman) 23 13 36 / 0
IR + Raman 23 13 36 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E h
linear 1 36 10
quadratic 2 666 68
cubic 3 8.436 350
quartic 4 82.251 1.521
quintic 5 658.008 5.772
sextic 6 4.496.388 19.760


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A' A''
linear 1 23 13
quadratic 2 367 299
cubic 3 4.393 4.043
quartic 4 41.886 40.365
quintic 5 331.890 326.118
sextic 6 2.258.074 2.238.314


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