Vibrational Frequencies calculated at MP2/6-31+G**
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 |
2552 |
2401 |
105.70 |
|
|
|
2 |
A1 |
1295 |
1218 |
274.95 |
|
|
|
3 |
A1 |
1173 |
1103 |
10.46 |
|
|
|
4 |
E |
2538 |
2387 |
127.33 |
|
|
|
4 |
E |
2538 |
2387 |
127.33 |
|
|
|
5 |
E |
1179 |
1109 |
48.55 |
|
|
|
5 |
E |
1179 |
1109 |
48.55 |
|
|
|
6 |
E |
869 |
817 |
28.59 |
|
|
|
6 |
E |
869 |
817 |
28.59 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7095.5 cm
-1
Scaled (by 0.9406) Zero Point Vibrational Energy (zpe) 6674.0 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.