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 |
1075 |
1022 |
95.18 |
|
|
|
| 2 |
A |
371 |
352 |
68.78 |
|
|
|
| 3 |
A |
340 |
323 |
136.35 |
|
|
|
| 4 |
A |
265 |
252 |
9.16 |
|
|
|
| 5 |
A |
231 |
220 |
0.57 |
|
|
|
| 6 |
A |
152 |
144 |
0.71 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1217.3 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 1156.8 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.