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' |
1688 |
1577 |
195.63 |
|
|
|
| 2 |
A' |
870 |
813 |
17.84 |
|
|
|
| 3 |
A' |
660 |
617 |
19.26 |
|
|
|
| 4 |
A' |
393 |
367 |
212.87 |
|
|
|
| 5 |
A' |
256 |
239 |
0.17 |
|
|
|
| 6 |
A" |
368 |
344 |
1.64 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2116.9 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 1978.1 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.