Vibrational Frequencies calculated at MP2/cc-pVTZ-PP
| 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 |
447 |
447 |
0.57 |
3.55 |
0.03 |
0.06 |
| 2 |
A1 |
224 |
224 |
0.38 |
7.44 |
0.10 |
0.19 |
| 3 |
E |
607 |
607 |
21.54 |
1.56 |
0.75 |
0.86 |
| 3 |
E |
607 |
607 |
21.54 |
1.56 |
0.75 |
0.86 |
| 4 |
E |
156 |
156 |
0.27 |
2.99 |
0.75 |
0.86 |
| 4 |
E |
156 |
156 |
0.27 |
2.99 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 1097.9 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 1097.9 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.