Vibrational Frequencies calculated at CCSD/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 |
Ag |
3419 |
3239 |
0.00 |
|
|
|
| 2 |
Ag |
2095 |
1985 |
0.00 |
|
|
|
| 3 |
Ag |
1195 |
1132 |
0.00 |
|
|
|
| 4 |
Ag |
922 |
873 |
0.00 |
|
|
|
| 5 |
Ag |
307 |
290 |
0.00 |
|
|
|
| 6 |
Au |
950 |
899 |
116.95 |
|
|
|
| 7 |
Au |
240 |
227 |
0.00 |
|
|
|
| 8 |
Bg |
682 |
646 |
0.00 |
|
|
|
| 9 |
Bu |
3420 |
3240 |
5.07 |
|
|
|
| 10 |
Bu |
1736 |
1645 |
125.78 |
|
|
|
| 11 |
Bu |
1165 |
1103 |
391.26 |
|
|
|
| 12 |
Bu |
283 |
269 |
5.53 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8207.0 cm
-1
Scaled (by 0.9473) Zero Point Vibrational Energy (zpe) 7774.5 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.