Vibrational Frequencies calculated at QCISD(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' |
1775 |
1698 |
|
|
|
|
| 2 |
A' |
1327 |
1270 |
|
|
|
|
| 3 |
A' |
819 |
784 |
|
|
|
|
| 4 |
A' |
765 |
732 |
|
|
|
|
| 5 |
A' |
584 |
559 |
|
|
|
|
| 6 |
A' |
403 |
386 |
|
|
|
|
| 7 |
A' |
220 |
211 |
|
|
|
|
| 8 |
A" |
752 |
720 |
|
|
|
|
| 9 |
A" |
115 |
110 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3379.8 cm
-1
Scaled (by 0.9569) Zero Point Vibrational Energy (zpe) 3234.2 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.