Vibrational Frequencies calculated at MP3/6-31G*
| 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 |
3312 |
3108 |
0.00 |
|
|
|
| 2 |
Ag |
1818 |
1707 |
0.00 |
|
|
|
| 3 |
Ag |
1336 |
1254 |
0.00 |
|
|
|
| 4 |
Ag |
1192 |
1119 |
0.00 |
|
|
|
| 5 |
Ag |
563 |
529 |
0.00 |
|
|
|
| 6 |
Au |
925 |
869 |
59.20 |
|
|
|
| 7 |
Au |
347 |
326 |
7.75 |
|
|
|
| 8 |
Bg |
802 |
753 |
0.00 |
|
|
|
| 9 |
Bu |
3303 |
3100 |
9.35 |
|
|
|
| 10 |
Bu |
1343 |
1261 |
34.42 |
|
|
|
| 11 |
Bu |
1219 |
1145 |
241.67 |
|
|
|
| 12 |
Bu |
318 |
298 |
14.71 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8239.1 cm
-1
Scaled (by 0.9386) Zero Point Vibrational Energy (zpe) 7733.2 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.