Vibrational Frequencies calculated at MP2/daug-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 |
A |
3775 |
3775 |
79.96 |
|
|
|
2 |
A |
2706 |
2706 |
7.50 |
|
|
|
3 |
A |
1196 |
1196 |
39.00 |
|
|
|
4 |
A |
995 |
995 |
1.74 |
|
|
|
5 |
A |
750 |
750 |
49.72 |
|
|
|
6 |
A |
450 |
450 |
73.72 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4935.9 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 4935.9 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.