Vibrational Frequencies calculated at MP4=FULL/daug-cc-pVDZ
| 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 |
3157 |
3157 |
|
|
|
|
| 2 |
A1 |
1775 |
1775 |
|
|
|
|
| 3 |
A1 |
1372 |
1372 |
|
|
|
|
| 4 |
A1 |
824 |
824 |
|
|
|
|
| 5 |
B1 |
668 |
668 |
|
|
|
|
| 6 |
B1 |
369 |
369 |
|
|
|
|
| 7 |
B2 |
3259 |
3259 |
|
|
|
|
| 8 |
B2 |
912 |
912 |
|
|
|
|
| 9 |
B2 |
325 |
325 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6329.9 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 6329.9 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.