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 |
3062 |
2924 |
|
|
|
|
| 2 |
A1 |
1536 |
1466 |
|
|
|
|
| 3 |
A1 |
1088 |
1039 |
|
|
|
|
| 4 |
E |
3153 |
3010 |
|
|
|
|
| 4 |
E |
3153 |
3010 |
|
|
|
|
| 5 |
E |
1543 |
1473 |
|
|
|
|
| 5 |
E |
1542 |
1473 |
|
|
|
|
| 6 |
E |
1209 |
1155 |
|
|
|
|
| 6 |
E |
1209 |
1155 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8747.7 cm
-1
Scaled (by 0.9548) Zero Point Vibrational Energy (zpe) 8352.3 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.