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 |
1344 |
1263 |
173.93 |
|
|
|
| 2 |
A1 |
763 |
716 |
213.24 |
|
|
|
| 3 |
A1 |
478 |
449 |
178.67 |
|
|
|
| 4 |
B1 |
711 |
668 |
8.31 |
|
|
|
| 5 |
B2 |
2033 |
1909 |
283.62 |
|
|
|
| 6 |
B2 |
513 |
482 |
7.86 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2920.9 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 2743.3 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.