Reduction formula for point group C2



Characters for molecular motions
Motion E C2
Cartesian 3N 324 0
Translation 3 -1
Rotation 3 -1
Vibration 318 2



Decomposition into Irreducible representations
Motion A B Total
Cartesian 3N 162 162 324
Translation 1 2 3
Rotation 1 2 3
Vibration 160 158 318



Molecule Parameter
Number of Atoms (N) 108
Number of internal coordinates 318
Number of independant internal coordinates 160
Number of vibrational modes 318





Force field analysis


Allowed / forbidden vibronational transitions
Operator A B Total
Linear (IR) 160 158 318 / 0
Quadratic (Raman) 160 158 318 / 0
IR + Raman 160 158 318 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E C2
linear 1 318 2
quadratic 2 50.721 161
cubic 3 5.410.240 320
quartic 4 434.171.760 13.040
quintic 5 27.960.661.344 25.760
sextic 6 1.505.215.602.352 708.400


Decomposition into Irreducible representations
Force field Tensor
Order
A B
linear 1 160 158
quadratic 2 25.441 25.280
cubic 3 2.705.280 2.704.960
quartic 4 217.092.400 217.079.360
quintic 5 13.980.343.552 13.980.317.792
sextic 6 752.608.155.376 752.607.446.976


Literature




Character tables for chemically important point groups Character table for point group C2 Jacobs University Bremen

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