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' |
1705 |
1620 |
225.95 |
|
|
|
| 2 |
A' |
874 |
830 |
16.45 |
|
|
|
| 3 |
A' |
622 |
591 |
28.81 |
|
|
|
| 4 |
A' |
384 |
365 |
215.26 |
|
|
|
| 5 |
A' |
248 |
236 |
0.56 |
|
|
|
| 6 |
A" |
373 |
355 |
1.81 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2102.6 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 1997.8 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.