Vibrational Frequencies calculated at MP2=FULL/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 |
671 |
637 |
38.10 |
10.10 |
0.16 |
0.28 |
| 2 |
A1 |
253 |
240 |
6.90 |
1.97 |
0.71 |
0.83 |
| 3 |
B2 |
652 |
619 |
73.26 |
7.27 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 788.1 cm
-1
Scaled (by 0.9486) Zero Point Vibrational Energy (zpe) 747.6 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.