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 |
A1 |
3256 |
3256 |
|
|
|
|
| 2 |
A1 |
1755 |
1755 |
|
|
|
|
| 3 |
A1 |
1289 |
1289 |
|
|
|
|
| 4 |
A1 |
1020 |
1020 |
|
|
|
|
| 5 |
A1 |
232 |
232 |
|
|
|
|
| 6 |
A2 |
827 |
827 |
|
|
|
|
| 7 |
A2 |
494 |
494 |
|
|
|
|
| 8 |
B1 |
781 |
781 |
|
|
|
|
| 9 |
B2 |
3231 |
3231 |
|
|
|
|
| 10 |
B2 |
1402 |
1402 |
|
|
|
|
| 11 |
B2 |
1154 |
1154 |
|
|
|
|
| 12 |
B2 |
771 |
771 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8105.7 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 8105.7 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.