Vibrational Frequencies calculated at MP2=FULL/6-31+G**
| 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 |
1376 |
1292 |
226.11 |
|
|
|
| 2 |
A1 |
755 |
710 |
67.89 |
|
|
|
| 3 |
A1 |
583 |
548 |
3.27 |
|
|
|
| 4 |
A1 |
531 |
498 |
31.26 |
|
|
|
| 5 |
A1 |
168 |
158 |
0.01 |
|
|
|
| 6 |
A2 |
520 |
489 |
0.00 |
|
|
|
| 7 |
B1 |
888 |
834 |
268.64 |
|
|
|
| 8 |
B1 |
524 |
492 |
21.60 |
|
|
|
| 9 |
B1 |
254 |
238 |
0.00 |
|
|
|
| 10 |
B2 |
825 |
775 |
514.80 |
|
|
|
| 11 |
B2 |
593 |
557 |
31.32 |
|
|
|
| 12 |
B2 |
511 |
480 |
0.08 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3764.0 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 3535.1 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.