Vibrational Frequencies calculated at MP2/aug-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 |
788 |
756 |
79.43 |
|
|
|
| 2 |
A1 |
378 |
363 |
60.52 |
|
|
|
| 3 |
E |
909 |
872 |
196.70 |
|
|
|
| 3 |
E |
909 |
872 |
196.70 |
|
|
|
| 4 |
E |
263 |
252 |
11.74 |
|
|
|
| 4 |
E |
263 |
252 |
11.74 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1755.1 cm
-1
Scaled (by 0.959) Zero Point Vibrational Energy (zpe) 1683.2 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.