Vibrational Frequencies calculated at MP3=FULL/6-31+G**
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A1 |
2984 |
2780 |
232.59 |
|
|
|
| 2 |
A1 |
1541 |
1436 |
47.93 |
|
|
|
| 3 |
A1 |
1236 |
1152 |
246.67 |
|
|
|
| 4 |
A1 |
485 |
452 |
40.66 |
|
|
|
| 5 |
E |
3017 |
2810 |
163.61 |
|
|
|
| 5 |
E |
3017 |
2810 |
163.62 |
|
|
|
| 6 |
E |
1559 |
1453 |
0.77 |
|
|
|
| 6 |
E |
1559 |
1453 |
0.77 |
|
|
|
| 7 |
E |
1221 |
1138 |
0.45 |
|
|
|
| 7 |
E |
1221 |
1138 |
0.45 |
|
|
|
| 8 |
E |
169 |
158 |
56.53 |
|
|
|
| 8 |
E |
169 |
158 |
56.53 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9089.7 cm
-1
Scaled (by 0.9316) Zero Point Vibrational Energy (zpe) 8468.0 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.