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 |
A1 |
423 |
402 |
11.03 |
19.10 |
0.14 |
0.24 |
2 |
A1 |
165 |
157 |
0.95 |
7.70 |
0.65 |
0.79 |
3 |
B2 |
409 |
389 |
52.54 |
12.51 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 498.6 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 473.7 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.