Vibrational Frequencies calculated at MP2/6-311G*
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 |
419 |
399 |
25.84 |
|
|
|
2 |
A1 |
203 |
193 |
3.77 |
|
|
|
3 |
E |
396 |
376 |
107.48 |
|
|
|
3 |
E |
396 |
376 |
107.48 |
|
|
|
4 |
E |
161 |
153 |
1.03 |
|
|
|
4 |
E |
161 |
153 |
1.03 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 867.5 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 824.4 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.