Vibrational Frequencies calculated at MP2=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 |
3082 |
2924 |
0.00 |
141.69 |
0.00 |
0.00 |
| 2 |
E |
1579 |
1498 |
0.00 |
18.58 |
0.75 |
0.86 |
| 2 |
E |
1579 |
1498 |
0.00 |
18.58 |
0.75 |
0.86 |
| 3 |
T2 |
3220 |
3055 |
21.16 |
54.71 |
0.75 |
0.86 |
| 3 |
T2 |
3220 |
3055 |
21.16 |
54.71 |
0.75 |
0.86 |
| 3 |
T2 |
3220 |
3055 |
21.16 |
54.71 |
0.75 |
0.86 |
| 4 |
T2 |
1363 |
1293 |
14.38 |
1.31 |
0.75 |
0.86 |
| 4 |
T2 |
1363 |
1293 |
14.38 |
1.31 |
0.75 |
0.86 |
| 4 |
T2 |
1363 |
1293 |
14.38 |
1.31 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 9995.6 cm
-1
Scaled (by 0.9486) Zero Point Vibrational Energy (zpe) 9481.8 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.