Vibrational Frequencies calculated at MP3=FULL/cc-pVTZ-PP
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
|
A' |
3315 |
3315 |
1.06 |
|
|
|
|
A' |
639 |
639 |
5.65 |
|
|
|
|
A' |
409 |
409 |
24.65 |
|
|
|
|
A' |
190 |
190 |
0.12 |
|
|
|
|
A" |
1220 |
1220 |
65.45 |
|
|
|
|
A" |
821 |
821 |
92.37 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3297.1 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 3297.1 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.