Vibrational Frequencies calculated at MP2=FULL/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' |
1717 |
1604 |
155.59 |
|
|
|
| 2 |
A' |
978 |
914 |
2.60 |
|
|
|
| 3 |
A' |
799 |
747 |
36.29 |
|
|
|
| 4 |
A' |
370 |
345 |
162.84 |
|
|
|
| 5 |
A' |
286 |
267 |
27.17 |
|
|
|
| 6 |
A" |
363 |
339 |
0.44 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2256.3 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 2108.3 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.