Vibrational Frequencies calculated at MP2/6-311G**
| 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' |
3841 |
3650 |
86.72 |
|
|
|
| 2 |
A' |
1687 |
1603 |
83.56 |
|
|
|
| 3 |
A' |
1308 |
1243 |
191.76 |
|
|
|
| 4 |
A' |
864 |
821 |
178.02 |
|
|
|
| 5 |
A' |
638 |
606 |
124.85 |
|
|
|
| 6 |
A" |
588 |
559 |
107.31 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4462.6 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 4240.4 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.