Reduction formula for point group C5h
Your representation
| E |
C5 |
(C5)2 |
(C5)3 |
(C5)4 |
 h |
S5 |
(S5)7 |
(S5)3 |
(S5)9 |
| 42 |
6.4721 |
-2.4721 |
-2.4721 |
6.4721 |
10 |
-0.0000 |
-0.0000 |
-0.0000 |
-0.0000 |
can be reduced to
| A' |
E'1 |
E'2 |
A'' |
E''1 |
E''2 |
| 6 |
6 |
4 |
4 |
4 |
2 |
Substraction of translational and rotational contributions results in
| A' |
E'1 |
E'2 |
A'' |
E''1 |
E''2 |
| 5 |
5 |
4 |
3 |
3 |
2 |
Force field analysis
Infrared and Raman activities (harmonic approximation)
| Method |
A' |
E'1 |
E'2 |
A'' |
E''1 |
E''2 |
| 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' |
E'1 |
E'2 |
A'' |
E''1 |
E''2 |
| linear |
5 |
5 |
4 |
3 |
3 |
2 |
| quadratic |
75 |
73 |
73 |
61 |
60 |
59 |
| cubic |
879 |
879 |
878 |
809 |
809 |
808 |
| quartic |
8378 |
8377 |
8377 |
8073 |
8073 |
8073 |
| Number of independant internal coordinates |
5 |
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