Vibrational Frequencies calculated at CCSD=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 |
3895 |
3895 |
201.72 |
|
|
|
| 2 |
Σ |
2887 |
2887 |
13.29 |
|
|
|
| 3 |
Σ |
1833 |
1833 |
28.55 |
|
|
|
| 4 |
Π |
727 |
727 |
3.28 |
|
|
|
| 4 |
Π |
727 |
727 |
3.28 |
|
|
|
| 5 |
Π |
466 |
466 |
105.30 |
|
|
|
| 5 |
Π |
466 |
466 |
105.30 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5500.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 5500.6 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.