Reduction formula for point group C6h

Your representation

E C6(z) C3 C2 (C3)2 (C6)5 i (S3)5 (S6)5 h S6 S3
324 0 0 0 0 0 0 0 0 24 0 0

can be reduced to

Ag Bg E1g E2g Au Bu E1u E2u
29 25 25 29 25 29 29 25

Substraction of translational and rotational contributions results in

Ag Bg E1g E2g Au Bu E1u E2u
28 25 24 29 24 29 28 25



Force field analysis

Infrared and Raman activities (harmonic approximation)
Method Ag Bg E1g E2g Au Bu E1u E2u
Infrared - - - - + - + -
Raman + - + + - - - -

Number of force field parameters
Force field No. 1 No. 2 No. 3
linear 318 318 28
quadratic 101124 50721 4292
cubic 32157432 5410240 451408
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 Bg E1g E2g Au Bu E1u E2u
linear 28 25 24 29 24 29 28 25
quadratic 4292 4188 4190 4290 4191 4236 4238 4189
cubic 451408 450334 450307 451382 450384 451358 451327 450362
quartic XXX*XXX*XXX*XXX*XXX*XXX*XXX*XXX*
*Not calculated for systems with more than 75 atoms

Number of independant internal coordinates 28

Literature




Character tables for chemically important point groups Character table for point group C6h Jacobs University Bremen