Vibrational Frequencies calculated at MP2=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 |
A' |
3253 |
3056 |
15.04 |
|
|
|
| 2 |
A' |
1520 |
1427 |
8.35 |
|
|
|
| 3 |
A' |
1166 |
1095 |
134.14 |
|
|
|
| 4 |
A' |
760 |
713 |
30.84 |
|
|
|
| 5 |
A" |
3419 |
3211 |
7.61 |
|
|
|
| 6 |
A" |
1204 |
1131 |
7.64 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5661.0 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 5316.8 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.