Vibrational Frequencies calculated at MP2=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 |
| 1 |
A' |
3793 |
3544 |
160.74 |
|
|
|
| 2 |
A' |
2376 |
2220 |
506.75 |
|
|
|
| 3 |
A' |
1315 |
1229 |
0.19 |
|
|
|
| 4 |
A' |
794 |
742 |
252.38 |
|
|
|
| 5 |
A' |
564 |
527 |
78.09 |
|
|
|
| 6 |
A" |
617 |
577 |
0.92 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4729.7 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 4419.4 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.