Vibrational Frequencies calculated at MP2/6-31G**
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A |
3817 |
3574 |
143.00 |
|
|
|
| 2 |
A |
1505 |
1409 |
264.85 |
|
|
|
| 3 |
A |
1249 |
1170 |
175.17 |
|
|
|
| 4 |
A |
1182 |
1107 |
93.18 |
|
|
|
| 5 |
A |
885 |
829 |
279.73 |
|
|
|
| 6 |
A |
818 |
766 |
139.92 |
|
|
|
| 7 |
A |
528 |
494 |
40.56 |
|
|
|
| 8 |
A |
513 |
480 |
25.06 |
|
|
|
| 9 |
A |
493 |
461 |
35.89 |
|
|
|
| 10 |
A |
401 |
375 |
38.26 |
|
|
|
| 11 |
A |
353 |
330 |
1.08 |
|
|
|
| 12 |
A |
268 |
251 |
79.88 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6004.9 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 5623.6 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.