Vibrational Frequencies calculated at MP2/cc-pVDZ
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A1 |
435 |
414 |
0.01 |
|
|
|
| 2 |
A1 |
218 |
208 |
0.46 |
|
|
|
| 3 |
E |
567 |
540 |
28.84 |
|
|
|
| 3 |
E |
567 |
540 |
28.84 |
|
|
|
| 4 |
E |
153 |
146 |
0.43 |
|
|
|
| 4 |
E |
153 |
146 |
0.43 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1046.6 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 996.9 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.