Reduction formula for point group C5
Your representation
E |
C5 |
(C5)2 |
(C5)3 |
(C5)4 |
30 |
0.0000 |
-0.0000 |
-0.0000 |
0.0000 |
can be reduced to
Substraction of translational and rotational contributions results in
Force field analysis
Infrared and Raman activities (harmonic approximation)
Method |
A |
E1 |
E2 |
Infrared |
+ |
+ |
- |
Raman |
+ |
+ |
+ |
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 |
E1 |
E2 |
linear |
4 |
4 |
6 |
quadratic |
62 |
61 |
58 |
cubic |
516 |
520 |
522 |
quartic |
3512 |
3511 |
3508 |
Number of independant internal coordinates |
4 |
Literature
- J.K.G. Watson, J. Mol. Spec. 41 229 (1972)
The Numbers of Structural Parameters and Potential Constants of Molecules
Last update November, 13th 2023 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement