Reduction formula for point group D5h
Your representation
| E |
2C5 |
2(C5)2 |
5C'2 |
 h |
2S5 |
2(S5)3 |
5v |
| 63 |
1.6180 |
-0.6180 |
-1 |
1 |
-0.3820 |
-2.6180 |
5 |
can be reduced to
| A'1 |
A'2 |
E'1 |
E'2 |
A''1 |
A''2 |
E''1 |
E''2 |
| 4 |
2 |
7 |
6 |
2 |
5 |
6 |
6 |
Substraction of translational and rotational contributions results in
| A'1 |
A'2 |
E'1 |
E'2 |
A''1 |
A''2 |
E''1 |
E''2 |
| 4 |
1 |
6 |
6 |
2 |
4 |
5 |
6 |
Force field analysis
Infrared and Raman activities (harmonic approximation)
| Method |
A'1 |
A'2 |
E'1 |
E'2 |
A''1 |
A''2 |
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'1 |
A'2 |
E'1 |
E'2 |
A''1 |
A''2 |
E''1 |
E''2 |
| linear |
4 |
1 |
6 |
6 |
2 |
4 |
5 |
6 |
| quadratic |
102 |
67 |
168 |
168 |
78 |
84 |
163 |
162 |
| cubic |
1675 |
1578 |
3254 |
3254 |
1590 |
1658 |
3248 |
3248 |
| quartic |
24715 |
24092 |
48807 |
48807 |
24266 |
24454 |
48720 |
48720 |
| 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