Vibrational Frequencies calculated at CCSD(T)=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 |
2401 |
2313 |
0.00 |
|
|
|
| 2 |
A1 |
829 |
799 |
0.00 |
|
|
|
| 3 |
A1 |
399 |
384 |
0.00 |
|
|
|
| 4 |
E |
994 |
958 |
0.00 |
|
|
|
| 4 |
E |
994 |
958 |
0.00 |
|
|
|
| 5 |
E |
831 |
800 |
0.00 |
|
|
|
| 5 |
E |
831 |
800 |
0.00 |
|
|
|
| 6 |
E |
285 |
274 |
0.00 |
|
|
|
| 6 |
E |
285 |
274 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3924.2 cm
-1
Scaled (by 0.9632) Zero Point Vibrational Energy (zpe) 3779.8 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.