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 |
3144 |
3002 |
|
|
|
|
| 2 |
A |
3059 |
2921 |
|
|
|
|
| 3 |
A |
1523 |
1454 |
|
|
|
|
| 4 |
A |
1409 |
1345 |
|
|
|
|
| 5 |
A |
918 |
877 |
|
|
|
|
| 6 |
A |
739 |
705 |
|
|
|
|
| 7 |
A |
3163 |
3020 |
|
|
|
|
| 8 |
A |
1449 |
1383 |
|
|
|
|
| 9 |
A |
611 |
583 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8006.9 cm
-1
Scaled (by 0.9548) Zero Point Vibrational Energy (zpe) 7645.0 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.