Vibrational Frequencies calculated at QCISD(T)/6-311G**
| 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' |
3274 |
3274 |
|
|
|
|
| 2 |
A' |
1827 |
1827 |
|
|
|
|
| 3 |
A' |
1389 |
1389 |
|
|
|
|
| 4 |
A' |
1293 |
1293 |
|
|
|
|
| 5 |
A' |
1187 |
1187 |
|
|
|
|
| 6 |
A' |
935 |
935 |
|
|
|
|
| 7 |
A' |
623 |
623 |
|
|
|
|
| 8 |
A' |
485 |
485 |
|
|
|
|
| 9 |
A' |
231 |
231 |
|
|
|
|
| 10 |
A" |
768 |
768 |
|
|
|
|
| 11 |
A" |
556 |
556 |
|
|
|
|
| 12 |
A" |
307 |
307 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6436.4 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 6436.4 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.