Vibrational Frequencies calculated at MP3=FULL/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 |
3538 |
3538 |
15.66 |
|
|
|
| 2 |
A1 |
1445 |
1445 |
16.38 |
|
|
|
| 3 |
A1 |
605 |
605 |
9.89 |
|
|
|
| 4 |
E |
3630 |
3630 |
67.77 |
|
|
|
| 4 |
E |
3630 |
3630 |
67.77 |
|
|
|
| 5 |
E |
1641 |
1641 |
29.13 |
|
|
|
| 5 |
E |
1641 |
1641 |
29.13 |
|
|
|
| 6 |
E |
892 |
892 |
53.33 |
|
|
|
| 6 |
E |
892 |
892 |
53.33 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8956.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 8956.6 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.