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' |
3269 |
3170 |
|
|
|
|
| 2 |
A' |
3199 |
3102 |
|
|
|
|
| 3 |
A' |
3099 |
3005 |
|
|
|
|
| 4 |
A' |
1817 |
1762 |
|
|
|
|
| 5 |
A' |
1418 |
1375 |
|
|
|
|
| 6 |
A' |
1078 |
1045 |
|
|
|
|
| 7 |
A' |
733 |
711 |
|
|
|
|
| 8 |
A" |
1022 |
991 |
|
|
|
|
| 9 |
A" |
937 |
909 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8286.1 cm
-1
Scaled (by 0.9697) Zero Point Vibrational Energy (zpe) 8035.0 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.