Vibrational Frequencies calculated at MP4/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' |
2574 |
2495 |
|
|
|
|
| 2 |
A2" |
1164 |
1128 |
|
|
|
|
| 3 |
E' |
2709 |
2626 |
|
|
|
|
| 3 |
E' |
2709 |
2626 |
|
|
|
|
| 4 |
E' |
1225 |
1188 |
|
|
|
|
| 4 |
E' |
1225 |
1188 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5803.2 cm
-1
Scaled (by 0.9692) Zero Point Vibrational Energy (zpe) 5624.4 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.