Vibrational Frequencies calculated at CCSD=FULL/cc-pCVTZ
| 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 |
855 |
855 |
78.15 |
|
|
|
| 2 |
A1 |
419 |
419 |
66.33 |
|
|
|
| 3 |
E |
989 |
989 |
186.71 |
|
|
|
| 3 |
E |
989 |
989 |
186.71 |
|
|
|
| 4 |
E |
297 |
297 |
11.63 |
|
|
|
| 4 |
E |
297 |
297 |
11.63 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1923.5 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 1923.5 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.