Reduction formula for point group C5
Your representation
E |
C5 |
(C5)2 |
(C5)3 |
(C5)4 |
180 |
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 |
174 |
174 |
34 |
quadratic |
30276 |
15225 |
3047 |
cubic |
5268024 |
893200 |
178636 |
quartic |
916636176 |
39524100 |
7904822 |
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 |
34 |
34 |
36 |
quadratic |
3047 |
3046 |
3043 |
cubic |
178636 |
178640 |
178642 |
quartic |
7904822 |
7904821 |
7904818 |
Number of independant internal coordinates |
34 |
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