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 |
A' |
3190 |
3094 |
|
|
|
|
| 2 |
A' |
1212 |
1176 |
|
|
|
|
| 3 |
A' |
743 |
721 |
|
|
|
|
| 4 |
A' |
606 |
588 |
|
|
|
|
| 5 |
A' |
338 |
327 |
|
|
|
|
| 6 |
A' |
228 |
221 |
|
|
|
|
| 7 |
A" |
1279 |
1240 |
|
|
|
|
| 8 |
A" |
791 |
767 |
|
|
|
|
| 9 |
A" |
221 |
215 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4304.2 cm
-1
Scaled (by 0.9697) Zero Point Vibrational Energy (zpe) 4173.8 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.