Vibrational Frequencies calculated at MP4/6-31G*
| 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' |
3154 |
3012 |
|
|
|
|
| 2 |
A' |
1499 |
1431 |
|
|
|
|
| 3 |
A' |
1297 |
1238 |
|
|
|
|
| 4 |
A' |
771 |
736 |
|
|
|
|
| 5 |
A' |
609 |
582 |
|
|
|
|
| 6 |
A' |
233 |
222 |
|
|
|
|
| 7 |
A" |
3241 |
3094 |
|
|
|
|
| 8 |
A" |
1188 |
1134 |
|
|
|
|
| 9 |
A" |
873 |
834 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6432.4 cm
-1
Scaled (by 0.9548) Zero Point Vibrational Energy (zpe) 6141.7 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.