Vibrational Frequencies calculated at MP2/6-31G
Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
1 |
A1 |
2811 |
2690 |
77.88 |
|
|
|
2 |
A1 |
690 |
661 |
42.58 |
|
|
|
3 |
A1 |
294 |
281 |
2.13 |
|
|
|
4 |
B1 |
806 |
771 |
21.49 |
|
|
|
5 |
B2 |
1141 |
1091 |
160.38 |
|
|
|
6 |
B2 |
864 |
826 |
252.49 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3302.6 cm
-1
Scaled (by 0.9568) Zero Point Vibrational Energy (zpe) 3159.9 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.