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 |
A1 |
3104 |
3032 |
|
|
|
|
| 2 |
A1 |
1446 |
1413 |
|
|
|
|
| 3 |
A1 |
762 |
744 |
|
|
|
|
| 4 |
E |
3209 |
3135 |
|
|
|
|
| 4 |
E |
3209 |
3135 |
|
|
|
|
| 5 |
E |
1526 |
1491 |
|
|
|
|
| 5 |
E |
1526 |
1491 |
|
|
|
|
| 6 |
E |
1068 |
1044 |
|
|
|
|
| 6 |
E |
1068 |
1044 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8459.1 cm
-1
Scaled (by 0.9769) Zero Point Vibrational Energy (zpe) 8263.7 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.