Vibrational Frequencies calculated at MP2/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' |
1762 |
1673 |
320.69 |
25.54 |
0.15 |
0.26 |
| 2 |
A' |
931 |
884 |
11.64 |
33.48 |
0.24 |
0.39 |
| 3 |
A' |
538 |
511 |
0.41 |
75.39 |
0.49 |
0.65 |
Unscaled Zero Point Vibrational Energy (zpe) 1615.6 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 1534.0 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.