Reduction formula for point group C5
Your representation
| E |
C5 |
(C5)2 |
(C5)3 |
(C5)4 |
| 90 |
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 |
+ |
+ |
+ |
Number of force field parameters
| Force field |
No. 1 |
No. 2 |
No. 3 |
| linear |
84 |
84 |
16 |
| quadratic |
7056 |
3570 |
716 |
| cubic |
592704 |
102340 |
20464 |
| quartic |
49787136 |
2225895 |
445181 |
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 |
16 |
16 |
18 |
| quadratic |
716 |
715 |
712 |
| cubic |
20464 |
20468 |
20470 |
| quartic |
445181 |
445180 |
445177 |
| Number of independant internal coordinates |
16 |
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