Vibrational Frequencies calculated at MP2/6-31G**
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' |
3167 |
2966 |
34.17 |
|
|
|
2 |
A' |
1808 |
1693 |
281.82 |
|
|
|
3 |
A' |
1406 |
1317 |
35.52 |
|
|
|
4 |
A' |
774 |
725 |
220.81 |
|
|
|
5 |
A' |
470 |
440 |
12.04 |
|
|
|
6 |
A" |
974 |
912 |
1.37 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4299.8 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 4026.7 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.