Vibrational Frequencies calculated at MP3=FULL/6-31G(2df,p)
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' |
2770 |
2770 |
5.27 |
|
|
|
2 |
A' |
2403 |
2403 |
12.15 |
|
|
|
3 |
A' |
1009 |
1009 |
8.92 |
|
|
|
4 |
A' |
730 |
730 |
0.55 |
|
|
|
5 |
A' |
372 |
372 |
5.46 |
|
|
|
6 |
A" |
435 |
435 |
2.17 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3859.4 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 3859.4 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.