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 |
A' |
3519 |
3344 |
24.54 |
193.42 |
0.32 |
0.49 |
| 2 |
A' |
1435 |
1364 |
79.35 |
5.23 |
0.63 |
0.77 |
| 3 |
A' |
1185 |
1126 |
115.07 |
13.15 |
0.56 |
0.72 |
Unscaled Zero Point Vibrational Energy (zpe) 3069.2 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 2916.7 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.