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 |
1763 |
1675 |
152.75 |
139.62 |
0.33 |
0.50 |
| 2 |
Σ |
1040 |
988 |
2.06 |
17.32 |
0.27 |
0.43 |
| 3 |
Π |
391 |
371 |
2.40 |
0.01 |
0.75 |
0.86 |
| 3 |
Π |
391 |
371 |
2.40 |
0.01 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 1792.4 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 1703.2 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.