Vibrational Frequencies calculated at MP2/6-311G**
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' |
1922 |
1826 |
355.79 |
|
|
|
2 |
A' |
1116 |
1060 |
468.68 |
|
|
|
3 |
A' |
774 |
735 |
95.75 |
|
|
|
4 |
A' |
510 |
485 |
0.53 |
|
|
|
5 |
A' |
421 |
400 |
1.18 |
|
|
|
6 |
A" |
678 |
644 |
18.43 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2710.4 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 2575.5 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.