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 |
A1 |
1936 |
1840 |
567.28 |
|
|
|
| 2 |
A1 |
745 |
708 |
119.90 |
|
|
|
| 3 |
A1 |
547 |
519 |
1.32 |
|
|
|
| 4 |
E |
894 |
849 |
306.64 |
|
|
|
| 4 |
E |
894 |
849 |
306.64 |
|
|
|
| 5 |
E |
516 |
490 |
51.36 |
|
|
|
| 5 |
E |
516 |
490 |
51.36 |
|
|
|
| 6 |
E |
406 |
385 |
0.84 |
|
|
|
| 6 |
E |
406 |
385 |
0.84 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3429.1 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 3258.4 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.