Vibrational Frequencies calculated at MP2/6-31+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' |
2816 |
2649 |
0.88 |
|
|
|
2 |
A' |
2145 |
2017 |
3.65 |
|
|
|
3 |
A' |
1016 |
956 |
16.07 |
|
|
|
4 |
A' |
705 |
663 |
0.07 |
|
|
|
5 |
A' |
297 |
279 |
3.69 |
|
|
|
6 |
A" |
326 |
307 |
0.15 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3652.3 cm
-1
Scaled (by 0.9406) Zero Point Vibrational Energy (zpe) 3435.3 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.