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' |
3236 |
3075 |
6.49 |
|
|
|
| 2 |
A' |
3091 |
2937 |
14.13 |
|
|
|
| 3 |
A' |
1604 |
1524 |
102.71 |
|
|
|
| 4 |
A' |
1519 |
1443 |
9.11 |
|
|
|
| 5 |
A' |
1473 |
1400 |
3.22 |
|
|
|
| 6 |
A' |
1207 |
1147 |
1.25 |
|
|
|
| 7 |
A' |
1055 |
1003 |
143.80 |
|
|
|
| 8 |
A' |
881 |
837 |
107.02 |
|
|
|
| 9 |
A' |
700 |
665 |
142.10 |
|
|
|
| 10 |
A' |
370 |
351 |
1.62 |
|
|
|
| 11 |
A" |
3177 |
3019 |
21.13 |
|
|
|
| 12 |
A" |
1501 |
1426 |
8.97 |
|
|
|
| 13 |
A" |
1187 |
1128 |
1.36 |
|
|
|
| 14 |
A" |
370 |
352 |
1.98 |
|
|
|
| 15 |
A" |
226 |
215 |
0.25 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 10798.5 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 10260.8 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.