Vibrational Frequencies calculated at CCSD/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 |
Ag |
3449 |
3449 |
0.00 |
|
|
|
| 2 |
Ag |
2141 |
2141 |
0.00 |
|
|
|
| 3 |
Ag |
1200 |
1200 |
0.00 |
|
|
|
| 4 |
Ag |
922 |
922 |
0.00 |
|
|
|
| 5 |
Ag |
289 |
289 |
0.00 |
|
|
|
| 6 |
Au |
966 |
966 |
124.29 |
|
|
|
| 7 |
Au |
246 |
246 |
0.01 |
|
|
|
| 8 |
Bg |
675 |
675 |
0.00 |
|
|
|
| 9 |
Bu |
3450 |
3450 |
6.25 |
|
|
|
| 10 |
Bu |
1736 |
1736 |
127.94 |
|
|
|
| 11 |
Bu |
1176 |
1176 |
377.89 |
|
|
|
| 12 |
Bu |
283 |
283 |
5.89 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8265.8 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 8265.8 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.