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' |
1375 |
1307 |
144.37 |
|
|
|
| 2 |
A' |
763 |
725 |
204.00 |
|
|
|
| 3 |
A' |
502 |
477 |
32.10 |
|
|
|
| 4 |
A' |
350 |
333 |
5.56 |
|
|
|
| 5 |
A" |
698 |
664 |
215.78 |
|
|
|
| 6 |
A" |
370 |
352 |
3.50 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2029.3 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 1928.2 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.