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 |
3835 |
3644 |
41.70 |
|
|
|
| 2 |
A |
3332 |
3166 |
4.27 |
|
|
|
| 3 |
A |
3181 |
3023 |
10.51 |
|
|
|
| 4 |
A |
1469 |
1395 |
5.10 |
|
|
|
| 5 |
A |
1389 |
1320 |
53.09 |
|
|
|
| 6 |
A |
1228 |
1167 |
35.25 |
|
|
|
| 7 |
A |
1184 |
1125 |
14.66 |
|
|
|
| 8 |
A |
901 |
856 |
10.92 |
|
|
|
| 9 |
A |
796 |
756 |
34.82 |
|
|
|
| 10 |
A |
498 |
473 |
1.74 |
|
|
|
| 11 |
A |
302 |
287 |
30.22 |
|
|
|
| 12 |
A |
196 |
187 |
120.58 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9155.3 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 8699.4 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.