Reduction formula for point group C2



Characters for molecular motions
Motion E C2
Cartesian 3N 63 -1
Translation (x,y,z) 3 -1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 57 1



Decomposition into Irreducible representations
Motion A B Total
Cartesian 3N 31 32 63
Translation (x,y,z) 1 2 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 29 28 57



Molecule Parameter
Number of Atoms (N) 21
Number of internal coordinates 57
Number of independant internal coordinates 29
Number of vibrational modes 57





Force field analysis


Allowed / forbidden vibronational transitions
Operator A B Total
Linear (IR) 29 28 57 / 0
Quadratic (Raman) 29 28 57 / 0
IR + Raman 29 28 57 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E C2
linear 1 57 1
quadratic 2 1.653 29
cubic 3 32.509 29
quartic 4 487.635 435
quintic 5 5.949.147 435
sextic 6 61.474.519 4.495


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A B
linear 1 29 28
quadratic 2 841 812
cubic 3 16.269 16.240
quartic 4 244.035 243.600
quintic 5 2.974.791 2.974.356
sextic 6 30.739.507 30.735.012


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