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' |
810 |
764 |
249.66 |
|
|
|
| 2 |
A' |
739 |
697 |
135.97 |
|
|
|
| 3 |
A' |
399 |
376 |
8.44 |
|
|
|
| 4 |
A' |
324 |
306 |
11.18 |
|
|
|
| 5 |
A" |
717 |
677 |
138.05 |
|
|
|
| 6 |
A" |
255 |
240 |
0.25 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1622.0 cm
-1
Scaled (by 0.943) Zero Point Vibrational Energy (zpe) 1529.6 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.