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 |
2844 |
2703 |
18.76 |
52.49 |
0.22 |
0.37 |
2 |
Σ |
1211 |
1151 |
31.71 |
73.90 |
0.27 |
0.43 |
3 |
Π |
709 |
674 |
0.11 |
1.39 |
0.75 |
0.86 |
3 |
Π |
709 |
674 |
0.11 |
1.39 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 2736.8 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 2600.7 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.