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 |
3765 |
3526 |
51.87 |
|
|
|
2 |
A |
1184 |
1109 |
111.93 |
|
|
|
3 |
A |
1166 |
1092 |
57.18 |
|
|
|
4 |
A |
578 |
542 |
151.93 |
|
|
|
5 |
A |
423 |
396 |
145.90 |
|
|
|
6 |
A |
304 |
284 |
2.56 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3710.1 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 3474.5 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.