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 |
1272 |
1191 |
508.06 |
0.65 |
0.18 |
0.30 |
| 2 |
A1 |
711 |
666 |
32.18 |
4.52 |
0.09 |
0.16 |
| 3 |
A1 |
434 |
406 |
7.49 |
1.38 |
0.54 |
0.70 |
| 4 |
B1 |
613 |
574 |
59.18 |
1.59 |
0.75 |
0.86 |
| 5 |
B2 |
1468 |
1375 |
333.73 |
0.00 |
0.75 |
0.86 |
| 6 |
B2 |
356 |
333 |
3.91 |
2.03 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 2426.3 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 2272.3 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.