Reduction formula for point group C2



Characters for molecular motions
Motion E C2
Cartesian 3N 180 0
Translation 3 -1
Rotation 3 -1
Vibration 174 2



Decomposition into Irreducible representations
Motion A B Total
Cartesian 3N 90 90 180
Translation 1 2 3
Rotation 1 2 3
Vibration 88 86 174



Molecule Parameter
Number of Atoms (N) 60
Number of internal coordinates 174
Number of independant internal coordinates 88
Number of vibrational modes 174





Force field analysis


Allowed / forbidden vibronational transitions
Operator A B Total
Linear (IR) 88 86 174 / 0
Quadratic (Raman) 88 86 174 / 0
IR + Raman 88 86 174 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E C2
linear 1 174 2
quadratic 2 15.225 89
cubic 3 893.200 176
quartic 4 39.524.100 4.004
quintic 5 1.407.057.960 7.832
sextic 6 41.977.229.140 121.396


Decomposition into Irreducible representations
Force field Tensor
Order
A B
linear 1 88 86
quadratic 2 7.657 7.568
cubic 3 446.688 446.512
quartic 4 19.764.052 19.760.048
quintic 5 703.532.896 703.525.064
sextic 6 20.988.675.268 20.988.553.872


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