Reduction formula for point group Th

Your representation

E 4C3 4(C3)2 3C2 i 4(S6)5 4S6 3h
252 0 0 0 0 0 0 4

can be reduced to

Ag Eg Tg Au Eu Tu
11 11 31 10 10 32

Substraction of translational and rotational contributions results in

Ag Eg Tg Au Eu Tu
11 11 30 10 10 31



Force field analysis

Infrared and Raman activities (harmonic approximation)
Method Ag Eg Tg Au Eu Tu
Infrared - - - - - +
Raman + + + - - -

Number of force field parameters
Force field No. 1 No. 2 No. 3
linear 246 246 11
quadratic 60516 30381 1303
cubic 14886936 2511496 104767
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 Eg Tg Au Eu Tu
linear 11 11 30 10 10 31
quadratic 1303 1303 3781 1260 1260 3783
cubic 104767 104726 313843 104641 104600 313969
quartic XXX*XXX*XXX*XXX*XXX*XXX*
*Not calculated for systems with more than 75 atoms

Number of independant internal coordinates 11

Literature




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