Reduction formula for point group C5v
Your representation
| E |
2C5 (z) |
2(C5)2 |
5 v |
| 120 |
0.0000 |
-0.0000 |
8 |
can be reduced to
Substraction of translational and rotational contributions results in
Force field analysis
Infrared and Raman activities (harmonic approximation)
| Method |
A1 |
A2 |
E1 |
E2 |
| Infrared |
+ |
- |
+ |
- |
| Raman |
+ |
- |
+ |
+ |
Number of force field parameters
| Force field |
No. 1 |
No. 2 |
No. 3 |
| linear |
114 |
114 |
15 |
| quadratic |
12996 |
6555 |
701 |
| cubic |
1481544 |
253460 |
25616 |
| quartic |
168896016 |
7413705 |
743206 |
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 |
A1 |
A2 |
E1 |
E2 |
| linear |
15 |
7 |
22 |
24 |
| quadratic |
701 |
612 |
1312 |
1309 |
| cubic |
25616 |
25072 |
50692 |
50694 |
| quartic |
743206 |
739537 |
1482742 |
1482739 |
| Number of independant internal coordinates |
15 |
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