Reduction formula for point group S12
Your representation
| E |
S12 |
C6 |
S4 |
C3 |
(S12)5 |
C2 |
(S12)7 |
(C3)2 |
(S4)3 |
(C6)5 |
(S12)11 |
| 75 |
0.7321 |
2 |
-1 |
0 |
-2.7321 |
-1 |
-2.7321 |
0 |
-1 |
2 |
0.7321 |
can be reduced to
| A |
B |
E1 |
E2 |
E3 |
E4 |
E5 |
| 6 |
7 |
7 |
6 |
6 |
6 |
6 |
Substraction of translational and rotational contributions results in
| A |
B |
E1 |
E2 |
E3 |
E4 |
E5 |
| 5 |
6 |
6 |
6 |
6 |
6 |
5 |
Force field analysis
Infrared and Raman activities (harmonic approximation)
| Method |
A |
B |
E1 |
E2 |
E3 |
E4 |
E5 |
| 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 |
B |
E1 |
E2 |
E3 |
E4 |
E5 |
| linear |
5 |
6 |
6 |
6 |
6 |
6 |
5 |
| quadratic |
205 |
204 |
198 |
204 |
198 |
204 |
199 |
| cubic |
4769 |
4770 |
4758 |
4764 |
4764 |
4764 |
4758 |
| quartic |
85788 |
85782 |
85680 |
85782 |
85680 |
85788 |
85680 |
| 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