Vibrational Frequencies calculated at MP2/cc-pVQZ
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' |
2999 |
2845 |
34.80 |
|
|
|
2 |
A' |
1764 |
1673 |
236.47 |
|
|
|
3 |
A' |
1363 |
1292 |
7.88 |
|
|
|
4 |
A' |
1054 |
1000 |
79.30 |
|
|
|
5 |
A' |
494 |
468 |
38.89 |
|
|
|
6 |
A" |
1016 |
964 |
0.10 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4345.2 cm
-1
Scaled (by 0.9484) Zero Point Vibrational Energy (zpe) 4121.0 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.