Vibrational Frequencies calculated at MP3=FULL/6-311+G(3df,2p)
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
|
A' |
3290 |
3290 |
1.69 |
|
|
|
|
A' |
642 |
642 |
5.26 |
|
|
|
|
A' |
419 |
419 |
21.52 |
|
|
|
|
A' |
192 |
192 |
0.11 |
|
|
|
|
A" |
1228 |
1228 |
61.88 |
|
|
|
|
A" |
826 |
826 |
91.26 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3298.4 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 3298.4 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.