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 |
2845 |
2845 |
20.61 |
66.62 |
0.23 |
0.37 |
| 2 |
Σ |
1185 |
1185 |
31.70 |
101.72 |
0.08 |
0.16 |
| 3 |
Π |
710 |
710 |
0.00 |
1.18 |
0.75 |
0.86 |
| 3 |
Π |
710 |
710 |
0.00 |
1.18 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 2724.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 2724.6 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.