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 |
690 |
646 |
29.45 |
|
|
|
| 2 |
A1 |
579 |
542 |
1.43 |
|
|
|
| 3 |
A1 |
242 |
227 |
14.01 |
|
|
|
| 4 |
B1 |
252 |
236 |
14.39 |
|
|
|
| 5 |
B2 |
662 |
620 |
244.70 |
|
|
|
| 6 |
B2 |
345 |
323 |
4.51 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1384.7 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 1296.8 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.