Reduction formula for point group D3



Characters for molecular motions
Motion E 2C3 (z) 3C'2
Cartesian 3N 48 0 0
Translation 3 0 -1
Rotation 3 0 -1
Vibration 42 0 2



Decomposition into Irreducible representations
Motion A1 A2 E Total
Cartesian 3N 8 8 16 32
Translation 0 1 1 2
Rotation 0 1 1 2
Vibration 8 6 14 28



Molecule Parameter
Number of Atoms (N) 16
Number of internal coordinates 42
Number of independant internal coordinates 8
Number of vibrational modes 28





Force field analysis


Allowed / forbidden vibronational transitions
Operator A1 A2 E Total
Linear (IR) 8 6 14 20 / 8
Quadratic (Raman) 8 6 14 22 / 6
IR + Raman - - 14 14 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E 2C3 (z) 3C'2
linear 1 42 0 2
quadratic 2 903 0 23
cubic 3 13.244 14 44
quartic 4 148.995 0 275
quintic 5 1.370.754 0 506
sextic 6 10.737.573 105 2.277


Decomposition into Irreducible representations
Force field Tensor
Order
A1 A2 E
linear 1 8 6 14
quadratic 2 162 139 301
cubic 3 2.234 2.190 4.410
quartic 4 24.970 24.695 49.665
quintic 5 228.712 228.206 456.918
sextic 6 1.790.769 1.788.492 3.579.156


Literature




Character tables for chemically important point groups Character table for point group D3 Jacobs University Bremen

Last update Mai, 23rd 2018 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement