Reduction formula for point group D2

Your representation

E C2 (z) C2 (y) C2 (x)
252 0 0 0

can be reduced to

A B1 B2 B3
63 63 63 63

Substraction of translational and rotational contributions results in

A B1 B2 B3
63 61 61 61



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 246 246 63
quadratic 60516 30381 7689
cubic 14886936 2511496 628060
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 63 61 61 61
quadratic 7689 7564 7564 7564
cubic 628060 627812 627812 627812
quartic XXX*XXX*XXX*XXX*
*Not calculated for systems with more than 75 atoms

Number of independant internal coordinates 63

Literature




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