Reduction formula for point group I

Your representation

E 12C5 12(C5)2 20C3 15C2
120 0.0000 -0.0000 0 0

can be reduced to

A T1 T2 G H
2 6 6 8 10

Substraction of translational and rotational contributions results in

A T1 T2 G H
2 4 6 8 10



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 114 114 2
quadratic 12996 6555 125
cubic 1481544 253460 4264
quartic 168896016 7413705 124005
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 6 8 10
quadratic 125 315 312 436 561
cubic 4264 12642 12644 16912 21138
quartic 124005 370245 370242 494246 618251

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