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 |
Σ |
2264 |
2151 |
295.66 |
0.92 |
0.61 |
0.76 |
2 |
Σ |
1293 |
1228 |
8.04 |
22.77 |
0.28 |
0.43 |
3 |
Π |
578 |
549 |
4.09 |
0.01 |
0.75 |
0.86 |
3 |
Π |
578 |
549 |
4.09 |
0.01 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 2356.2 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 2238.9 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.