Reduction formula for point group C6v

Your representation

E 2C6 (z) 2C3 (z) C2 (z) 3v 3d
324 0 0 0 12 8

can be reduced to

A1 A2 B1 B2 E1 E2
32 22 28 26 54 54

Substraction of translational and rotational contributions results in

A1 A2 B1 B2 E1 E2
31 21 28 26 52 54



Force field analysis

Infrared and Raman activities (harmonic approximation)
Method A1 A2 B1 B2 E1 E2
Infrared + - - - + -
Raman + - - - + +

Number of force field parameters
Force field No. 1 No. 2 No. 3
linear 318 318 31
quadratic 101124 50721 4347
cubic 32157432 5410240 451786
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 A1 A2 B1 B2 E1 E2
linear 31 21 28 26 52 54
quadratic 4347 4136 4222 4202 8428 8479
cubic 451786 450006 451056 450636 901634 901744
quartic XXX*XXX*XXX*XXX*XXX*XXX*
*Not calculated for systems with more than 75 atoms

Number of independant internal coordinates 31

Literature




Character tables for chemically important point groups Character table for point group C6v Jacobs University Bremen