Vibrational Frequencies calculated at MP4=FULL/cc-pVTZ
| 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 |
3147 |
3030 |
|
|
|
|
| 2 |
A1 |
1483 |
1428 |
|
|
|
|
| 3 |
A1 |
726 |
699 |
|
|
|
|
| 4 |
A1 |
285 |
274 |
|
|
|
|
| 5 |
A2 |
1186 |
1142 |
|
|
|
|
| 6 |
B1 |
3202 |
3083 |
|
|
|
|
| 7 |
B1 |
906 |
872 |
|
|
|
|
| 8 |
B2 |
1296 |
1248 |
|
|
|
|
| 9 |
B2 |
782 |
753 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6505.8 cm
-1
Scaled (by 0.9629) Zero Point Vibrational Energy (zpe) 6264.4 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.