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' |
873 |
818 |
97.22 |
|
|
|
| 2 |
A' |
634 |
594 |
15.85 |
|
|
|
| 3 |
A' |
363 |
340 |
16.20 |
|
|
|
| 4 |
A' |
203 |
190 |
9.32 |
|
|
|
| 5 |
A" |
813 |
761 |
456.48 |
|
|
|
| 6 |
A" |
459 |
429 |
3.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1672.0 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 1565.9 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.