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' |
1721 |
1639 |
209.67 |
|
|
|
2 |
A' |
863 |
822 |
16.86 |
|
|
|
3 |
A' |
637 |
607 |
18.13 |
|
|
|
4 |
A' |
320 |
305 |
212.42 |
|
|
|
5 |
A' |
249 |
237 |
0.82 |
|
|
|
6 |
A" |
364 |
347 |
1.77 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2076.8 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 1978.1 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.