Vibrational Frequencies calculated at CCSD(T)=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 |
A |
2675 |
2563 |
|
|
|
|
| 2 |
A |
899 |
862 |
|
|
|
|
| 3 |
A |
523 |
501 |
|
|
|
|
| 4 |
A |
433 |
414 |
|
|
|
|
| 5 |
B |
2677 |
2565 |
|
|
|
|
| 6 |
B |
898 |
860 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4052.8 cm
-1
Scaled (by 0.958) Zero Point Vibrational Energy (zpe) 3882.6 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.