Vibrational Frequencies calculated at MP3=FULL/6-311G*
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
|
A' |
3273 |
3273 |
0.73 |
|
|
|
|
A' |
638 |
638 |
9.44 |
|
|
|
|
A' |
454 |
454 |
28.84 |
|
|
|
|
A' |
192 |
192 |
0.11 |
|
|
|
|
A" |
1251 |
1251 |
62.48 |
|
|
|
|
A" |
807 |
807 |
104.56 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3307.3 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 3307.3 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.