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 |
773 |
728 |
66.43 |
|
|
|
| 2 |
A |
606 |
571 |
0.50 |
|
|
|
| 3 |
A |
279 |
263 |
0.77 |
|
|
|
| 4 |
A |
185 |
174 |
3.29 |
|
|
|
| 5 |
B |
746 |
703 |
167.05 |
|
|
|
| 6 |
B |
315 |
296 |
13.51 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1451.6 cm
-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 1367.7 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.