Reduction formula for point group I

Your representation

E 12C5 12(C5)2 20C3 15C2
60 0.0000 -0.0000 0 0

can be reduced to

A T1 T2 G H
1 3 3 4 5

Substraction of translational and rotational contributions results in

A T1 T2 G H
1 1 3 4 5


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 54 54 1
quadratic 2916 1485 33
cubic 157464 27720 480
quartic 8503056 395010 6693
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 3 4 5
quadratic 33 69 66 98 131
cubic 480 1370 1372 1856 2318
quartic 6693 19644 19641 26333 33026

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