Vibrational Frequencies calculated at MP4/6-311G**
| 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 |
3075 |
2982 |
|
|
|
|
| 2 |
A1 |
2790 |
2705 |
|
|
|
|
| 3 |
A1 |
1376 |
1335 |
|
|
|
|
| 4 |
A1 |
1266 |
1228 |
|
|
|
|
| 5 |
A1 |
927 |
899 |
|
|
|
|
| 6 |
A2 |
308 |
298 |
|
|
|
|
| 7 |
E |
3180 |
3084 |
|
|
|
|
| 7 |
E |
3180 |
3084 |
|
|
|
|
| 8 |
E |
2507 |
2431 |
|
|
|
|
| 8 |
E |
2506 |
2430 |
|
|
|
|
| 9 |
E |
1495 |
1450 |
|
|
|
|
| 9 |
E |
1495 |
1450 |
|
|
|
|
| 10 |
E |
1368 |
1327 |
|
|
|
|
| 10 |
E |
1367 |
1325 |
|
|
|
|
| 11 |
E |
1218 |
1181 |
|
|
|
|
| 11 |
E |
1218 |
1181 |
|
|
|
|
| 12 |
E |
871 |
845 |
|
|
|
|
| 12 |
E |
871 |
845 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 15507.8 cm
-1
Scaled (by 0.9697) Zero Point Vibrational Energy (zpe) 15037.9 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.