Reduction formula for point group I
Your representation
E |
12C5 |
12(C5)2 |
20C3 |
15C2 |
60 |
0.0000 |
-0.0000 |
0 |
0 |
can be reduced to
Substraction of translational and rotational contributions results in
Force field analysis
Infrared and Raman activities (harmonic approximation)
Method |
A |
T1 |
T2 |
G |
H |
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 |
T1 |
T2 |
G |
H |
linear |
1 |
1 |
3 |
4 |
5 |
quadratic |
33 |
69 |
66 |
98 |
131 |
cubic |
480 |
1370 |
1372 |
1856 |
2318 |
quartic |
6693 |
19644 |
19641 |
26333 |
33026 |
Number of independant internal coordinates |
1 |
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