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' |
1362 |
1276 |
138.05 |
|
|
|
| 2 |
A' |
828 |
775 |
179.16 |
|
|
|
| 3 |
A' |
504 |
472 |
28.07 |
|
|
|
| 4 |
A' |
353 |
331 |
5.31 |
|
|
|
| 5 |
A" |
778 |
729 |
192.43 |
|
|
|
| 6 |
A" |
360 |
337 |
5.28 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2092.8 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 1959.9 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.