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 |
Σg |
2052 |
1948 |
0.00 |
|
|
|
2 |
Σg |
614 |
583 |
0.00 |
|
|
|
3 |
Σu |
1881 |
1786 |
50.85 |
|
|
|
4 |
Πg |
475 |
451 |
0.00 |
|
|
|
4 |
Πg |
475 |
451 |
0.00 |
|
|
|
5 |
Πu |
207 |
196 |
47.60 |
|
|
|
5 |
Πu |
207 |
196 |
47.60 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2955.0 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 2805.8 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.