Vibrational Frequencies calculated at MP2=FULL/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 |
3284 |
3111 |
0.00 |
|
|
|
| 2 |
Ag |
1769 |
1676 |
0.00 |
|
|
|
| 3 |
Ag |
1318 |
1248 |
0.00 |
|
|
|
| 4 |
Ag |
1172 |
1110 |
0.00 |
|
|
|
| 5 |
Ag |
560 |
531 |
0.00 |
|
|
|
| 6 |
Au |
924 |
875 |
77.34 |
|
|
|
| 7 |
Au |
346 |
328 |
5.83 |
|
|
|
| 8 |
Bg |
810 |
767 |
0.00 |
|
|
|
| 9 |
Bu |
3277 |
3104 |
12.23 |
|
|
|
| 10 |
Bu |
1316 |
1246 |
27.59 |
|
|
|
| 11 |
Bu |
1200 |
1137 |
275.64 |
|
|
|
| 12 |
Bu |
317 |
300 |
13.99 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8146.1 cm
-1
Scaled (by 0.9471) Zero Point Vibrational Energy (zpe) 7715.2 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.