Reduction formula for point group C2



Characters for molecular motions
Motion E C2
Cartesian 3N 252 0
Translation 3 -1
Rotation 3 -1
Vibration 246 2



Decomposition into Irreducible representations
Motion A B Total
Cartesian 3N 126 126 252
Translation 1 2 3
Rotation 1 2 3
Vibration 124 122 246



Molecule Parameter
Number of Atoms (N) 84
Number of internal coordinates 246
Number of independant internal coordinates 124
Number of vibrational modes 246





Force field analysis


Allowed / forbidden vibronational transitions
Operator A B Total
Linear (IR) 124 122 246 / 0
Quadratic (Raman) 124 122 246 / 0
IR + Raman 124 122 246 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E C2
linear 1 246 2
quadratic 2 30.381 125
cubic 3 2.511.496 248
quartic 4 156.340.626 7.874
quintic 5 7.817.031.300 15.500
sextic 6 327.012.476.050 333.250


Decomposition into Irreducible representations
Force field Tensor
Order
A B
linear 1 124 122
quadratic 2 15.253 15.128
cubic 3 1.255.872 1.255.624
quartic 4 78.174.250 78.166.376
quintic 5 3.908.523.400 3.908.507.900
sextic 6 163.506.404.650 163.506.071.400


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