Reduction formula for point group D7h
Your representation
| E |
2C7 |
2(C7)2 |
2(C7)3 |
7C'2 |
 h |
2S7 |
2(S7)5 |
2(S7)3 |
7v |
| 42 |
0.0000 |
0.0000 |
-0.0000 |
-2 |
14 |
0.0000 |
-0.0000 |
-0.0000 |
2 |
can be reduced to
| A'1 |
A'2 |
E'1 |
E'2 |
E'3 |
A''1 |
A''2 |
E''1 |
E''2 |
E''3 |
| 2 |
2 |
4 |
4 |
4 |
0 |
2 |
2 |
2 |
2 |
Substraction of translational and rotational contributions results in
| A'1 |
A'2 |
E'1 |
E'2 |
E'3 |
A''1 |
A''2 |
E''1 |
E''2 |
E''3 |
| 2 |
1 |
3 |
4 |
4 |
0 |
1 |
1 |
2 |
2 |
Force field analysis
Infrared and Raman activities (harmonic approximation)
| Method |
A'1 |
A'2 |
E'1 |
E'2 |
E'3 |
A''1 |
A''2 |
E''1 |
E''2 |
E''3 |
| 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 |
E'3 |
A''1 |
A''2 |
E''1 |
E''2 |
E''3 |
| linear |
2 |
1 |
3 |
4 |
4 |
0 |
1 |
1 |
2 |
2 |
| quadratic |
38 |
19 |
57 |
55 |
55 |
20 |
21 |
40 |
39 |
38 |
| cubic |
335 |
316 |
653 |
654 |
655 |
265 |
284 |
551 |
552 |
553 |
| quartic |
3162 |
2972 |
6133 |
6132 |
6131 |
2800 |
2819 |
5619 |
5617 |
5617 |
| Number of independant internal coordinates |
2 |
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