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 |
A |
2713 |
2713 |
0.99 |
|
|
|
| 2 |
A |
917 |
917 |
0.41 |
|
|
|
| 3 |
A |
533 |
533 |
0.00 |
|
|
|
| 4 |
A |
444 |
444 |
13.45 |
|
|
|
| 5 |
B |
2715 |
2715 |
2.85 |
|
|
|
| 6 |
B |
917 |
917 |
5.72 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4120.1 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 4120.1 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.