Vibrational Frequencies calculated at MP3=FULL/6-31G
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
|
A' |
3301 |
3301 |
0.87 |
|
|
|
|
A' |
584 |
584 |
15.67 |
|
|
|
|
A' |
388 |
388 |
36.86 |
|
|
|
|
A' |
179 |
179 |
0.07 |
|
|
|
|
A" |
1223 |
1223 |
69.97 |
|
|
|
|
A" |
741 |
741 |
90.13 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3208.1 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 3208.1 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.