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 |
A1 |
3495 |
3273 |
2.42 |
|
|
|
| 2 |
A1 |
1678 |
1572 |
42.10 |
|
|
|
| 3 |
A1 |
1467 |
1373 |
15.76 |
|
|
|
| 4 |
B1 |
756 |
708 |
211.20 |
|
|
|
| 5 |
B2 |
3592 |
3364 |
11.55 |
|
|
|
| 6 |
B2 |
1045 |
979 |
0.27 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6016.2 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 5634.2 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.