Vibrational Frequencies calculated at MP2/cc-pVTZ
| 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 |
834 |
792 |
74.81 |
|
|
|
| 2 |
A1 |
408 |
388 |
63.24 |
|
|
|
| 3 |
E |
966 |
917 |
183.09 |
|
|
|
| 3 |
E |
966 |
917 |
183.09 |
|
|
|
| 4 |
E |
289 |
275 |
11.27 |
|
|
|
| 4 |
E |
289 |
275 |
11.27 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1875.8 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 1781.0 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.