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 |
Σg |
913 |
913 |
0.00 |
37.64 |
0.04 |
0.08 |
| 2 |
Σu |
1115 |
1115 |
112.25 |
0.00 |
0.00 |
0.00 |
| 3 |
Πu |
194 |
194 |
34.19 |
0.00 |
0.00 |
0.00 |
| 3 |
Πu |
194 |
194 |
34.19 |
0.00 |
0.00 |
0.00 |
Unscaled Zero Point Vibrational Energy (zpe) 1207.8 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 1207.8 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.