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 |
Σ |
2208 |
2208 |
345.89 |
0.16 |
0.04 |
0.08 |
| 2 |
Σ |
1274 |
1274 |
12.62 |
33.18 |
0.16 |
0.27 |
| 3 |
Π |
557 |
557 |
1.77 |
0.01 |
0.75 |
0.86 |
| 3 |
Π |
557 |
557 |
1.77 |
0.01 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 2297.3 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 2297.3 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.