Vibrational Frequencies calculated at MP2/6-311G**
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' |
2796 |
2657 |
1.73 |
|
|
|
2 |
A' |
2144 |
2037 |
1.55 |
|
|
|
3 |
A' |
1000 |
950 |
12.21 |
|
|
|
4 |
A' |
707 |
672 |
0.02 |
|
|
|
5 |
A' |
324 |
308 |
4.00 |
|
|
|
6 |
A" |
360 |
342 |
0.78 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3665.3 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 3482.7 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.