Reduction formula for point group D2

Your representation

E C2 (z) C2 (y) C2 (x)
324 0 0 0

can be reduced to

A B1 B2 B3
81 81 81 81

Substraction of translational and rotational contributions results in

A B1 B2 B3
81 79 79 79



Force field analysis

Infrared and Raman activities (harmonic approximation)
Method A B1 B2 B3
Infrared - + + +
Raman + + + +

Number of force field parameters
Force field No. 1 No. 2 No. 3
linear 318 318 81
quadratic 101124 50721 12801
cubic 32157432 5410240 1352800
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 A B1 B2 B3
linear 81 79 79 79
quadratic 12801 12640 12640 12640
cubic 1352800 1352480 1352480 1352480
quartic XXX*XXX*XXX*XXX*
*Not calculated for systems with more than 75 atoms

Number of independant internal coordinates 81

Literature




Character tables for chemically important point groups Character table for point group D2 Jacobs University Bremen