Reduction formula for point group I

Your representation

E 12C5 12(C5)2 20C3 15C2
36 3.2361 -1.2361 0 0

can be reduced to

A T1 T2 G H
1 3 1 2 3

Substraction of translational and rotational contributions results in

A T1 T2 G H
1 1 1 2 3


Force field analysis

Infrared and Raman activities (harmonic approximation)
Method A T1 T2 G H
Infrared - + - - -
Raman + - - - +

Number of force field parameters
Force field No. 1 No. 2 No. 3
linear 30 30 1
quadratic 900 465 12
cubic 27000 4960 94
quartic 810000 40920 720
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 A T1 T2 G H
linear 1 1 1 2 3
quadratic 12 19 19 31 43
cubic 94 240 240 334 418
quartic 720 2008 2008 2728 3448

Number of independant internal coordinates 1

Literature



Character tables for chemically important point groups Character table for point group I Constructor University Bremen
Last update November, 13th 2023 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement