Reduction formula for point group D2

Your representation

E C2 (z) C2 (y) C2 (x)
180 0 0 0

can be reduced to

A B1 B2 B3
45 45 45 45

Substraction of translational and rotational contributions results in

A B1 B2 B3
45 43 43 43



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 174 174 45
quadratic 30276 15225 3873
cubic 5268024 893200 223432
quartic 916636176 39524100 9884028
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 45 43 43 43
quadratic 3873 3784 3784 3784
cubic 223432 223256 223256 223256
quartic 9884028 9880024 9880024 9880024

Number of independant internal coordinates 45

Literature




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