Vibrational Frequencies calculated at CID/6-31G*
| 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 |
3376 |
3119 |
0.00 |
|
|
|
| 2 |
Ag |
1881 |
1737 |
0.00 |
|
|
|
| 3 |
Ag |
1370 |
1266 |
0.00 |
|
|
|
| 4 |
Ag |
1220 |
1127 |
0.00 |
|
|
|
| 5 |
Ag |
578 |
534 |
0.00 |
|
|
|
| 6 |
Au |
975 |
900 |
60.26 |
|
|
|
| 7 |
Au |
359 |
332 |
8.69 |
|
|
|
| 8 |
Bg |
868 |
802 |
0.00 |
|
|
|
| 9 |
Bu |
3365 |
3109 |
10.19 |
|
|
|
| 10 |
Bu |
1373 |
1268 |
36.93 |
|
|
|
| 11 |
Bu |
1244 |
1149 |
272.97 |
|
|
|
| 12 |
Bu |
328 |
303 |
15.13 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8468.4 cm
-1
Scaled (by 0.9237) Zero Point Vibrational Energy (zpe) 7822.3 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.