Reduction formula for point group D2h

Your representation

E C2 (z) C2 (y) C2 (x) i (xy) (xz) (yz)
252 0 0 0 0 4 4 4

can be reduced to

Ag B1g B2g B3g Au B1u B2u B3u
33 31 31 31 30 32 32 32

Substraction of translational and rotational contributions results in

Ag B1g B2g B3g Au B1u B2u B3u
33 30 30 30 30 31 31 31



Force field analysis

Infrared and Raman activities (harmonic approximation)
Method Ag B1g B2g B3g Au B1u B2u B3u
Infrared - - - - - + + +
Raman + + + + - - - -

Number of force field parameters
Force field No. 1 No. 2 No. 3
linear 246 246 33
quadratic 60516 30381 3909
cubic 14886936 2511496 314219
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 Ag B1g B2g B3g Au B1u B2u B3u
linear 33 30 30 30 30 31 31 31
quadratic 3909 3781 3781 3781 3780 3783 3783 3783
cubic 314219 313843 313843 313843 313841 313969 313969 313969
quartic XXX*XXX*XXX*XXX*XXX*XXX*XXX*XXX*
*Not calculated for systems with more than 75 atoms

Number of independant internal coordinates 33

Literature




Character tables for chemically important point groups Character table for point group D2h Jacobs University Bremen