Reduction formula for point group Cs



Characters for molecular motions
Motion E h
Cartesian 3N 108 4
Translation (x,y,z) 3 1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 102 4



Decomposition into Irreducible representations
Motion A' A'' Total
Cartesian 3N 56 52 108
Translation (x,y,z) 2 1 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 53 49 102



Molecule Parameter
Number of Atoms (N) 36
Number of internal coordinates 102
Number of independant internal coordinates 53
Number of vibrational modes 102





Force field analysis


Allowed / forbidden vibronational transitions
Operator A' A'' Total
Linear (IR) 53 49 102 / 0
Quadratic (Raman) 53 49 102 / 0
IR + Raman 53 49 102 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E h
linear 1 102 4
quadratic 2 5.253 59
cubic 3 182.104 216
quartic 4 4.780.230 1.750
quintic 5 101.340.876 5.936
sextic 6 1.807.245.622 34.874


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A' A''
linear 1 53 49
quadratic 2 2.656 2.597
cubic 3 91.160 90.944
quartic 4 2.390.990 2.389.240
quintic 5 50.673.406 50.667.470
sextic 6 903.640.248 903.605.374


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