Reduction formula for point group C3



Characters for molecular motions
Motion E C3 (C3)2
Cartesian 3N 75 0 0
Translation (x,y,z) 3 0 0
Rotation (Rx,Ry,Rz) 3 0 0
Vibration 69 0 0



Decomposition into Irreducible representations
Motion A E Total
Cartesian 3N 25 25 50
Translation (x,y,z) 1 1 2
Rotation (Rx,Ry,Rz) 1 1 2
Vibration 23 23 46



Molecule Parameter
Number of Atoms (N) 25
Number of internal coordinates 69
Number of independant internal coordinates 23
Number of vibrational modes 46





Force field analysis


Allowed / forbidden vibronational transitions
Operator A E Total
Linear (IR) 23 23 46 / 0
Quadratic (Raman) 23 23 46 / 0
IR + Raman 23 23 46 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E C3 (C3)2
linear 1 69 0 0
quadratic 2 2.415 0 0
cubic 3 57.155 23 23
quartic 4 1.028.790 0 0
quintic 5 15.020.334 0 0
sextic 6 185.250.786 276 276


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A E
linear 1 23 23
quadratic 2 805 805
cubic 3 19.067 19.044
quartic 4 342.930 342.930
quintic 5 5.006.778 5.006.778
sextic 6 61.750.446 61.750.170


Literature




Character tables for chemically important point groups Character table for point group C3 Constructor University Bremen

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