Reduction formula for point group C2



Characters for molecular motions
Motion E C2
Cartesian 3N 66 0
Translation (x,y,z) 3 -1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 60 2



Decomposition into Irreducible representations
Motion A B Total
Cartesian 3N 33 33 66
Translation (x,y,z) 1 2 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 31 29 60



Molecule Parameter
Number of Atoms (N) 22
Number of internal coordinates 60
Number of independant internal coordinates 31
Number of vibrational modes 60





Force field analysis


Allowed / forbidden vibronational transitions
Operator A B Total
Linear (IR) 31 29 60 / 0
Quadratic (Raman) 31 29 60 / 0
IR + Raman 31 29 60 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E C2
linear 1 60 2
quadratic 2 1.830 32
cubic 3 37.820 62
quartic 4 595.665 527
quintic 5 7.624.512 992
sextic 6 82.598.880 5.952


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A B
linear 1 31 29
quadratic 2 931 899
cubic 3 18.941 18.879
quartic 4 298.096 297.569
quintic 5 3.812.752 3.811.760
sextic 6 41.302.416 41.296.464


Literature




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

Last update November, 13th 2023 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement