Reduction formula for point group D2h

Your representation

E C2 (z) C2 (y) C2 (x) i (xy) (xz) (yz)
324 0 0 0 0 24 12 8

can be reduced to

Ag B1g B2g B3g Au B1u B2u B3u
46 41 38 37 35 40 43 44

Substraction of translational and rotational contributions results in

Ag B1g B2g B3g Au B1u B2u B3u
46 40 37 36 35 39 42 43



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 318 318 46
quadratic 101124 50721 6529
cubic 32157432 5410240 677611
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 46 40 37 36 35 39 42 43
quadratic 6529 6343 6289 6279 6272 6297 6351 6361
cubic 677611 676561 675579 675369 675189 675919 676901 677111
quartic XXX*XXX*XXX*XXX*XXX*XXX*XXX*XXX*
*Not calculated for systems with more than 75 atoms

Number of independant internal coordinates 46

Literature




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