Vibrational Frequencies calculated at MP2=FULL/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' |
1068 |
1011 |
95.52 |
|
|
|
| 2 |
A' |
372 |
352 |
67.83 |
|
|
|
| 3 |
A' |
265 |
251 |
8.97 |
|
|
|
| 4 |
A' |
152 |
144 |
0.69 |
|
|
|
| 5 |
A" |
342 |
324 |
134.81 |
|
|
|
| 6 |
A" |
231 |
219 |
0.52 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1215.0 cm
-1
Scaled (by 0.9471) Zero Point Vibrational Energy (zpe) 1150.7 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.