Vibrational Frequencies calculated at MP2/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 |
A' |
1199 |
1142 |
51.79 |
|
|
|
2 |
A' |
569 |
542 |
84.30 |
|
|
|
3 |
A' |
502 |
478 |
81.96 |
|
|
|
4 |
A' |
342 |
326 |
3.24 |
|
|
|
5 |
A" |
1347 |
1283 |
206.64 |
|
|
|
6 |
A" |
288 |
274 |
8.46 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2123.6 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 2022.7 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.