Vibrational Frequencies calculated at MP3=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 |
3248 |
3248 |
2.96 |
|
|
|
| 2 |
A |
1327 |
1327 |
18.11 |
|
|
|
| 3 |
A |
1253 |
1253 |
69.22 |
|
|
|
| 4 |
A |
1072 |
1072 |
129.27 |
|
|
|
| 5 |
A |
725 |
725 |
163.13 |
|
|
|
| 6 |
A |
622 |
622 |
38.84 |
|
|
|
| 7 |
A |
385 |
385 |
2.23 |
|
|
|
| 8 |
A |
298 |
298 |
0.83 |
|
|
|
| 9 |
A |
215 |
215 |
0.30 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4571.4 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 4571.4 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.