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 |
A1 |
3167 |
3045 |
|
|
|
|
| 2 |
A1 |
1798 |
1729 |
|
|
|
|
| 3 |
A1 |
1392 |
1338 |
|
|
|
|
| 4 |
A1 |
836 |
804 |
|
|
|
|
| 5 |
B1 |
670 |
644 |
|
|
|
|
| 6 |
B1 |
385 |
370 |
|
|
|
|
| 7 |
B2 |
3260 |
3135 |
|
|
|
|
| 8 |
B2 |
940 |
904 |
|
|
|
|
| 9 |
B2 |
347 |
334 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6397.4 cm
-1
Scaled (by 0.9615) Zero Point Vibrational Energy (zpe) 6151.1 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.