Vibrational Frequencies calculated at MP2/CEP-31G
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A1 |
488 |
471 |
19.98 |
|
|
|
| 2 |
A1 |
396 |
383 |
1.93 |
|
|
|
| 3 |
A1 |
248 |
239 |
37.98 |
|
|
|
| 4 |
B1 |
215 |
208 |
0.00 |
|
|
|
| 5 |
B2 |
398 |
384 |
0.00 |
|
|
|
| 6 |
B2 |
149 |
144 |
0.00 |
|
|
|
| 7 |
E |
582 |
563 |
72.72 |
|
|
|
| 7 |
E |
582 |
563 |
72.72 |
|
|
|
| 8 |
E |
277 |
267 |
3.24 |
|
|
|
| 8 |
E |
277 |
267 |
3.24 |
|
|
|
| 9 |
E |
173 |
167 |
6.57 |
|
|
|
| 9 |
E |
173 |
167 |
6.57 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1978.6 cm
-1
Scaled (by 0.9663) Zero Point Vibrational Energy (zpe) 1911.9 cm
-1
See section
III.C.1 List or set vibrational scaling factors
to change the scale factors used here.
See section
III.C.2
Calculate a vibrational scaling factor for a given set of molecules
to determine the least squares best scaling factor.