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 |
A1 |
819 |
819 |
68.25 |
|
|
|
| 2 |
A1 |
390 |
390 |
71.70 |
|
|
|
| 3 |
E |
959 |
959 |
160.96 |
|
|
|
| 3 |
E |
959 |
959 |
160.96 |
|
|
|
| 4 |
E |
273 |
273 |
14.47 |
|
|
|
| 4 |
E |
273 |
273 |
14.47 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1837.2 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 1837.2 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.