Reduction formula for point group D4d

Your representation

E 2S8 2C4 2(S8)3 C2 4C'2 4d
72 0.0000 0 -0.0000 0 -4 2

can be reduced to

A1 A2 B1 B2 E1 E2 E3
4 5 3 6 9 9 9

Substraction of translational and rotational contributions results in

A1 A2 B1 B2 E1 E2 E3
4 4 3 5 8 9 8



Force field analysis

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

Number of force field parameters
Force field No. 1 No. 2 No. 3
linear 66 66 4
quadratic 4356 2211 158
cubic 287496 50116 3136
quartic 18974736 864501 54388
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
linear 4 4 3 5 8 9 8
quadratic 158 123 141 141 272 280 272
cubic 3136 3136 3102 3170 6256 6274 6256
quartic 54388 53759 54073 54073 107984 108136 107984

Number of independant internal coordinates 4

Literature




Character tables for chemically important point groups Character table for point group D4d Constructor University Bremen

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