Vibrational Frequencies calculated at MP2=FULL/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' |
3304 |
3087 |
23.08 |
|
|
|
| 2 |
A' |
2411 |
2253 |
234.15 |
|
|
|
| 3 |
A' |
1475 |
1378 |
16.83 |
|
|
|
| 4 |
A' |
1182 |
1105 |
3.19 |
|
|
|
| 5 |
A' |
571 |
534 |
2.38 |
|
|
|
| 6 |
A' |
204 |
190 |
169.91 |
|
|
|
| 7 |
A" |
3443 |
3218 |
2.97 |
|
|
|
| 8 |
A" |
1137 |
1062 |
1.17 |
|
|
|
| 9 |
A" |
449 |
420 |
1.40 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7088.0 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 6623.0 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.