Vibrational Frequencies calculated at MP2/daug-cc-pVTZ
| 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' |
2763 |
2763 |
89.77 |
264.26 |
0.45 |
0.62 |
| 2 |
A' |
1919 |
1919 |
69.57 |
91.05 |
0.68 |
0.81 |
| 3 |
A' |
1106 |
1106 |
47.01 |
10.15 |
0.19 |
0.33 |
Unscaled Zero Point Vibrational Energy (zpe) 2894.3 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 2894.3 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.