Vibrational Frequencies calculated at MP2/cc-pVQZ
| 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' |
2064 |
1957 |
388.18 |
229.01 |
0.40 |
0.57 |
| 2 |
A' |
893 |
847 |
84.24 |
14.51 |
0.61 |
0.76 |
| 3 |
A' |
851 |
807 |
118.51 |
5.97 |
0.68 |
0.81 |
Unscaled Zero Point Vibrational Energy (zpe) 1903.6 cm
-1
Scaled (by 0.9484) Zero Point Vibrational Energy (zpe) 1805.4 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.