Vibrational Frequencies calculated at MP2/6-31G
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 |
3455 |
3306 |
8.22 |
|
|
|
2 |
A |
1057 |
1011 |
123.62 |
|
|
|
3 |
A |
829 |
793 |
151.20 |
|
|
|
4 |
A |
356 |
341 |
236.49 |
|
|
|
5 |
A |
251 |
240 |
178.43 |
|
|
|
6 |
A |
159 |
152 |
52.40 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3053.5 cm
-1
Scaled (by 0.9568) Zero Point Vibrational Energy (zpe) 2921.6 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.