Reduction formula for point group I

Your representation

E 12C5 12(C5)2 20C3 15C2
72 6.4721 -2.4721 0 0

can be reduced to

A T1 T2 G H
2 6 2 4 6

Substraction of translational and rotational contributions results in

A T1 T2 G H
2 4 2 4 6


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 66 66 2
quadratic 4356 2211 47
cubic 287496 50116 860
quartic 18974736 864501 14566
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 2 4 2 4 6
quadratic 47 103 102 146 193
cubic 860 2490 2488 3348 4186
quartic 14566 43068 43068 57633 72199

Number of independant internal coordinates 2

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