Reduction formula for point group D3

Your representation

E 2C3 (z) 3C'2
324 0 0

can be reduced to

A1 A2 E
54 54 108

Substraction of translational and rotational contributions results in

A1 A2 E
54 52 106



Force field analysis

Infrared and Raman activities (harmonic approximation)
Method A1 A2 E
Infrared - + +
Raman + - +

Number of force field parameters
Force field No. 1 No. 2 No. 3
linear 318 318 54
quadratic 101124 50721 8534
cubic 32157432 5410240 901902
quartic XXX*XXX*XXX*
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 E
linear 54 52 106
quadratic 8534 8373 16907
cubic 901902 901582 1803378
quartic XXX*XXX*XXX*
*Not calculated for systems with more than 75 atoms

Number of independant internal coordinates 54

Literature




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