Vibrational Frequencies calculated at MP2=FULL/6-31G**
| 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' |
1103 |
1030 |
86.82 |
|
|
|
| 2 |
A' |
393 |
367 |
65.66 |
|
|
|
| 3 |
A' |
268 |
251 |
8.48 |
|
|
|
| 4 |
A' |
158 |
147 |
0.71 |
|
|
|
| 5 |
A" |
363 |
339 |
129.57 |
|
|
|
| 6 |
A" |
242 |
226 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1263.1 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 1180.3 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.