Vibrational Frequencies calculated at MP2/STO-3G
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A' |
1370 |
1195 |
27.62 |
|
|
|
| 2 |
A' |
973 |
849 |
207.41 |
|
|
|
| 3 |
A' |
851 |
742 |
0.44 |
|
|
|
| 4 |
A' |
441 |
384 |
5.50 |
|
|
|
| 5 |
A' |
263 |
229 |
0.32 |
|
|
|
| 6 |
A" |
147 |
128 |
0.04 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2022.3 cm
-1
Scaled (by 0.8719) Zero Point Vibrational Energy (zpe) 1763.2 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.