Reduction formula for point group C2



Characters for molecular motions
Motion E C2
Cartesian 3N 66 -2
Translation 3 -1
Rotation 3 -1
Vibration 60 0



Decomposition into Irreducible representations
Motion A B Total
Cartesian 3N 32 34 66
Translation 1 2 3
Rotation 1 2 3
Vibration 30 30 60



Molecule Parameter
Number of Atoms (N) 22
Number of internal coordinates 60
Number of independant internal coordinates 30
Number of vibrational modes 60





Force field analysis


Allowed / forbidden vibronational transitions
Operator A B Total
Linear (IR) 30 30 60 / 0
Quadratic (Raman) 30 30 60 / 0
IR + Raman 30 30 60 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E C2
linear 1 60 0
quadratic 2 1.830 30
cubic 3 37.820 0
quartic 4 595.665 465
quintic 5 7.624.512 0
sextic 6 82.598.880 4.960


Decomposition into Irreducible representations
Force field Tensor
Order
A B
linear 1 30 30
quadratic 2 930 900
cubic 3 18.910 18.910
quartic 4 298.065 297.600
quintic 5 3.812.256 3.812.256
sextic 6 41.301.920 41.296.960


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