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 |
3135 |
2979 |
37.74 |
|
|
|
| 2 |
A |
3099 |
2945 |
33.10 |
|
|
|
| 3 |
A |
3016 |
2866 |
4.78 |
|
|
|
| 4 |
A |
1566 |
1488 |
5.36 |
|
|
|
| 5 |
A |
1461 |
1388 |
17.02 |
|
|
|
| 6 |
A |
1452 |
1379 |
13.88 |
|
|
|
| 7 |
A |
1143 |
1086 |
10.45 |
|
|
|
| 8 |
A |
1003 |
953 |
2.73 |
|
|
|
| 9 |
A |
823 |
782 |
56.13 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8348.1 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 7933.2 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.