Vibrational Frequencies calculated at MP2/daug-cc-pVDZ
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' |
1177 |
1177 |
665.51 |
2344.16 |
0.31 |
0.47 |
2 |
A' |
926 |
926 |
111.28 |
74.76 |
0.58 |
0.73 |
3 |
A' |
289 |
289 |
48.16 |
12.67 |
0.51 |
0.68 |
Unscaled Zero Point Vibrational Energy (zpe) 1195.5 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 1195.5 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.