Reduction formula for point group D6d

Your representation

E 2S12 2C6 2S4 2C3 2(S12)5 C2 6C'2 6d
75 0.7321 2 -1 0 -2.7321 -1 -1 5

can be reduced to

A1 A2 B1 B2 E1 E2 E3 E4 E5
4 2 2 5 7 6 6 6 6

Substraction of translational and rotational contributions results in

A1 A2 B1 B2 E1 E2 E3 E4 E5
4 1 2 4 6 6 6 6 5


Force field analysis

Infrared and Raman activities (harmonic approximation)
Method A1 A2 B1 B2 E1 E2 E3 E4 E5
Infrared - - - + + - - - -
Raman + - - - - + - - +

Number of force field parameters
Force field No. 1 No. 2 No. 3
linear 69 69 4
quadratic 4761 2415 123
cubic 328509 57155 2442
quartic 22667121 1028790 43321
No. 1 : Total number of force constants .
No. 2 : Total number of force constants k.
No. 3 : Total number of nonvanishing force constants k.

Symmetry properties of force field parameters
Force field A1 A2 B1 B2 E1 E2 E3 E4 E5
linear 4 1 2 4 6 6 6 6 5
quadratic 123 82 99 105 198 204 198 204 199
cubic 2442 2327 2345 2425 4758 4764 4764 4764 4758
quartic 43321 42467 42779 43003 85680 85782 85680 85788 85680

Number of independant internal coordinates 4

Literature



Character tables for chemically important point groups Character table for point group D6d Constructor University Bremen
Last update November, 13th 2023 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement