Vibrational Frequencies calculated at MP4=FULL/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 |
3715 |
3572 |
|
|
|
|
| 2 |
A |
3508 |
3373 |
|
|
|
|
| 3 |
A |
1601 |
1540 |
|
|
|
|
| 4 |
A |
1523 |
1464 |
|
|
|
|
| 5 |
A |
1240 |
1192 |
|
|
|
|
| 6 |
A |
1070 |
1029 |
|
|
|
|
| 7 |
A |
687 |
660 |
|
|
|
|
| 8 |
A |
614 |
590 |
|
|
|
|
| 9 |
A |
400 |
384 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7178.6 cm
-1
Scaled (by 0.9615) Zero Point Vibrational Energy (zpe) 6902.2 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.