Vibrational Frequencies calculated at MP3=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 |
1064 |
991 |
155.73 |
|
|
|
| 2 |
A |
415 |
386 |
57.30 |
|
|
|
| 3 |
A |
391 |
364 |
114.18 |
|
|
|
| 4 |
A |
285 |
266 |
10.78 |
|
|
|
| 5 |
A |
251 |
234 |
1.51 |
|
|
|
| 6 |
A |
167 |
156 |
0.75 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1286.5 cm
-1
Scaled (by 0.9316) Zero Point Vibrational Energy (zpe) 1198.5 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.