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 |
3468 |
3293 |
8.98 |
|
|
|
| 2 |
A1 |
1340 |
1272 |
32.58 |
|
|
|
| 3 |
A1 |
656 |
623 |
3.12 |
|
|
|
| 4 |
E |
3586 |
3405 |
80.14 |
|
|
|
| 4 |
E |
3586 |
3405 |
80.14 |
|
|
|
| 5 |
E |
1665 |
1581 |
33.22 |
|
|
|
| 5 |
E |
1665 |
1581 |
33.22 |
|
|
|
| 6 |
E |
859 |
816 |
19.91 |
|
|
|
| 6 |
E |
859 |
816 |
19.91 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8842.3 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 8395.8 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.