Reduction formula for point group C2



Characters for molecular motions
Motion E C2
Cartesian 3N 120 0
Translation 3 -1
Rotation 3 -1
Vibration 114 2



Decomposition into Irreducible representations
Motion A B Total
Cartesian 3N 60 60 120
Translation 1 2 3
Rotation 1 2 3
Vibration 58 56 114



Molecule Parameter
Number of Atoms (N) 40
Number of internal coordinates 114
Number of independant internal coordinates 58
Number of vibrational modes 114





Force field analysis


Allowed / forbidden vibronational transitions
Operator A B Total
Linear (IR) 58 56 114 / 0
Quadratic (Raman) 58 56 114 / 0
IR + Raman 58 56 114 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E C2
linear 1 114 2
quadratic 2 6.555 59
cubic 3 253.460 116
quartic 4 7.413.705 1.769
quintic 5 174.963.438 3.422
sextic 6 3.470.108.187 35.931


Decomposition into Irreducible representations
Force field Tensor
Order
A B
linear 1 58 56
quadratic 2 3.307 3.248
cubic 3 126.788 126.672
quartic 4 3.707.737 3.705.968
quintic 5 87.483.430 87.480.008
sextic 6 1.735.072.059 1.735.036.128


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