Reduction formula for point group D5h
Your representation
| E |
2C5 |
2(C5)2 |
5C'2 |
 h |
2S5 |
2(S5)3 |
5v |
| 210 |
0.0000 |
-0.0000 |
0 |
10 |
-0.0000 |
-0.0000 |
4 |
can be reduced to
| A'1 |
A'2 |
E'1 |
E'2 |
A''1 |
A''2 |
E''1 |
E''2 |
| 12 |
10 |
22 |
22 |
9 |
11 |
20 |
20 |
Substraction of translational and rotational contributions results in
| A'1 |
A'2 |
E'1 |
E'2 |
A''1 |
A''2 |
E''1 |
E''2 |
| 12 |
9 |
21 |
22 |
9 |
10 |
19 |
20 |
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 |
+ |
- |
- |
+ |
- |
- |
+ |
- |
Number of force field parameters
| Force field |
No. 1 |
No. 2 |
No. 3 |
| linear |
204 |
204 |
12 |
| quadratic |
41616 |
20910 |
1107 |
| cubic |
8489664 |
1435820 |
72006 |
| quartic |
1731891456 |
74303685 |
3718611 |
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 |
12 |
9 |
21 |
22 |
9 |
10 |
19 |
20 |
| quadratic |
1107 |
1000 |
2107 |
2105 |
1037 |
1040 |
2076 |
2075 |
| cubic |
72006 |
71693 |
143701 |
143702 |
71677 |
71784 |
143463 |
143464 |
| quartic |
3718611 |
3712839 |
7431449 |
7431448 |
3714488 |
3714801 |
7429289 |
7429287 |
| Number of independant internal coordinates |
12 |
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