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' |
1149 |
1119 |
|
|
|
|
2 |
A' |
619 |
603 |
|
|
|
|
3 |
A' |
467 |
455 |
|
|
|
|
4 |
A' |
282 |
274 |
|
|
|
|
5 |
A" |
923 |
898 |
|
|
|
|
6 |
A" |
378 |
368 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1909.1 cm
-1
Scaled (by 0.9732) Zero Point Vibrational Energy (zpe) 1858.0 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.