Vibrational Frequencies calculated at MP4/aug-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 |
A |
3828 |
3726 |
|
|
|
|
| 2 |
A |
3295 |
3206 |
|
|
|
|
| 3 |
A |
3150 |
3066 |
|
|
|
|
| 4 |
A |
1490 |
1450 |
|
|
|
|
| 5 |
A |
1365 |
1328 |
|
|
|
|
| 6 |
A |
1193 |
1161 |
|
|
|
|
| 7 |
A |
1057 |
1029 |
|
|
|
|
| 8 |
A |
607 |
591 |
|
|
|
|
| 9 |
A |
428 |
416 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8206.2 cm
-1
Scaled (by 0.9732) Zero Point Vibrational Energy (zpe) 7986.3 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.