Vibrational Frequencies calculated at MP2=FULL/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 |
2354 |
2238 |
1074.22 |
|
|
|
| 2 |
Σ |
1923 |
1827 |
6.90 |
|
|
|
| 3 |
Σ |
943 |
896 |
0.04 |
|
|
|
| 4 |
Π |
592 |
563 |
20.48 |
|
|
|
| 4 |
Π |
592 |
563 |
20.48 |
|
|
|
| 5 |
Π |
182 |
173 |
7.10 |
|
|
|
| 5 |
Π |
182 |
173 |
7.10 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3384.2 cm
-1
Scaled (by 0.9504) Zero Point Vibrational Energy (zpe) 3216.3 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.