Vibrational Frequencies calculated at MP2/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 |
1121 |
1065 |
44.82 |
|
|
|
2 |
A1 |
717 |
681 |
13.05 |
|
|
|
3 |
E |
1296 |
1231 |
359.08 |
|
|
|
3 |
E |
1296 |
1231 |
359.08 |
|
|
|
4 |
E |
517 |
491 |
1.71 |
|
|
|
4 |
E |
517 |
491 |
1.71 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2731.9 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 2594.0 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.