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 |
2869 |
2726 |
19.04 |
55.08 |
0.23 |
0.37 |
2 |
Σ |
1213 |
1153 |
30.85 |
73.65 |
0.27 |
0.42 |
3 |
Π |
712 |
676 |
0.06 |
1.47 |
0.75 |
0.86 |
3 |
Π |
712 |
676 |
0.06 |
1.47 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 2752.5 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 2615.5 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.