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 |
3270 |
3270 |
0.00 |
|
|
|
| 2 |
Ag |
1783 |
1783 |
0.00 |
|
|
|
| 3 |
Ag |
1317 |
1317 |
0.00 |
|
|
|
| 4 |
Ag |
1177 |
1177 |
0.00 |
|
|
|
| 5 |
Ag |
560 |
560 |
0.00 |
|
|
|
| 6 |
Au |
926 |
926 |
64.74 |
|
|
|
| 7 |
Au |
344 |
344 |
6.62 |
|
|
|
| 8 |
Bg |
816 |
816 |
0.00 |
|
|
|
| 9 |
Bu |
3262 |
3262 |
11.79 |
|
|
|
| 10 |
Bu |
1317 |
1317 |
35.47 |
|
|
|
| 11 |
Bu |
1205 |
1205 |
267.97 |
|
|
|
| 12 |
Bu |
319 |
319 |
14.77 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8148.3 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 8148.3 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.