Vibrational Frequencies calculated at MP3=FULL/aug-cc-pVTZ
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
|
A' |
3356 |
3356 |
1.82 |
|
|
|
|
A' |
639 |
639 |
4.13 |
|
|
|
|
A' |
369 |
369 |
23.13 |
|
|
|
|
A' |
191 |
191 |
0.16 |
|
|
|
|
A" |
1214 |
1214 |
62.79 |
|
|
|
|
A" |
830 |
830 |
90.06 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3299.3 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 3299.3 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.