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' |
3111 |
3017 |
|
|
|
|
| 2 |
A' |
1512 |
1466 |
|
|
|
|
| 3 |
A' |
1371 |
1329 |
|
|
|
|
| 4 |
A' |
1100 |
1067 |
|
|
|
|
| 5 |
A' |
654 |
634 |
|
|
|
|
| 6 |
A' |
315 |
306 |
|
|
|
|
| 7 |
A" |
3193 |
3096 |
|
|
|
|
| 8 |
A" |
1269 |
1230 |
|
|
|
|
| 9 |
A" |
952 |
924 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6738.5 cm
-1
Scaled (by 0.9697) Zero Point Vibrational Energy (zpe) 6534.3 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.