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 |
3915 |
3666 |
48.18 |
|
|
|
| 2 |
A |
3379 |
3164 |
22.32 |
|
|
|
| 3 |
A |
3223 |
3018 |
27.16 |
|
|
|
| 4 |
A |
1552 |
1454 |
13.03 |
|
|
|
| 5 |
A |
1394 |
1306 |
29.92 |
|
|
|
| 6 |
A |
1233 |
1155 |
95.86 |
|
|
|
| 7 |
A |
1090 |
1021 |
58.08 |
|
|
|
| 8 |
A |
786 |
736 |
41.19 |
|
|
|
| 9 |
A |
460 |
431 |
113.71 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8515.3 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 7974.5 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.