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 |
3201 |
2982 |
20.12 |
|
|
|
| 2 |
A1 |
1578 |
1470 |
4.64 |
|
|
|
| 3 |
A1 |
1134 |
1056 |
1.78 |
|
|
|
| 4 |
B1 |
1053 |
981 |
56.64 |
|
|
|
| 5 |
B2 |
3294 |
3069 |
6.63 |
|
|
|
| 6 |
B2 |
1058 |
985 |
5.18 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5658.5 cm
-1
Scaled (by 0.9316) Zero Point Vibrational Energy (zpe) 5271.5 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.