Vibrational Frequencies calculated at MP3=FULL/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 |
A1 |
3568 |
3568 |
0.03 |
|
|
|
2 |
A1 |
745 |
745 |
464.60 |
|
|
|
3 |
E |
3749 |
3749 |
2.27 |
|
|
|
3 |
E |
3749 |
3749 |
2.27 |
|
|
|
4 |
E |
1754 |
1754 |
33.80 |
|
|
|
4 |
E |
1754 |
1754 |
33.80 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7659.7 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 7659.7 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.