Vibrational Frequencies calculated at MP2=FULL/6-31G**
| 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 |
3192 |
2983 |
38.21 |
|
|
|
| 2 |
A |
3163 |
2955 |
27.49 |
|
|
|
| 3 |
A |
3072 |
2870 |
6.70 |
|
|
|
| 4 |
A |
1586 |
1482 |
6.31 |
|
|
|
| 5 |
A |
1480 |
1382 |
11.33 |
|
|
|
| 6 |
A |
1461 |
1365 |
6.41 |
|
|
|
| 7 |
A |
1144 |
1069 |
10.24 |
|
|
|
| 8 |
A |
999 |
934 |
2.45 |
|
|
|
| 9 |
A |
836 |
781 |
49.35 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8465.9 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 7910.6 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.