Vibrational Frequencies calculated at MP4=FULL/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 |
Ag |
3424 |
3293 |
|
|
|
|
| 2 |
Ag |
1993 |
1916 |
|
|
|
|
| 3 |
Ag |
1168 |
1123 |
|
|
|
|
| 4 |
Ag |
889 |
855 |
|
|
|
|
| 5 |
Ag |
327 |
315 |
|
|
|
|
| 6 |
Au |
937 |
900 |
|
|
|
|
| 7 |
Au |
243 |
233 |
|
|
|
|
| 8 |
Bg |
707 |
680 |
|
|
|
|
| 9 |
Bu |
3425 |
3293 |
|
|
|
|
| 10 |
Bu |
1675 |
1611 |
|
|
|
|
| 11 |
Bu |
1119 |
1076 |
|
|
|
|
| 12 |
Bu |
282 |
271 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8094.8 cm
-1
Scaled (by 0.9615) Zero Point Vibrational Energy (zpe) 7783.2 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.