Vibrational Frequencies calculated at CCSD=FULL/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 |
A1 |
924 |
876 |
139.54 |
|
|
|
| 2 |
A1 |
497 |
471 |
31.04 |
|
|
|
| 3 |
E |
894 |
848 |
194.17 |
|
|
|
| 3 |
E |
894 |
848 |
194.17 |
|
|
|
| 4 |
E |
354 |
335 |
5.24 |
|
|
|
| 4 |
E |
354 |
335 |
5.24 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1958.1 cm
-1
Scaled (by 0.9481) Zero Point Vibrational Energy (zpe) 1856.5 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.