Vibrational Frequencies calculated at MP2=FULL/3-21G*
| 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 |
3295 |
3123 |
0.00 |
|
|
|
| 2 |
Ag |
1759 |
1667 |
0.00 |
|
|
|
| 3 |
Ag |
1358 |
1287 |
0.00 |
|
|
|
| 4 |
Ag |
1145 |
1086 |
0.00 |
|
|
|
| 5 |
Ag |
545 |
516 |
0.00 |
|
|
|
| 6 |
Au |
989 |
938 |
70.95 |
|
|
|
| 7 |
Au |
338 |
321 |
9.35 |
|
|
|
| 8 |
Bg |
863 |
818 |
0.00 |
|
|
|
| 9 |
Bu |
3291 |
3120 |
6.93 |
|
|
|
| 10 |
Bu |
1357 |
1286 |
8.52 |
|
|
|
| 11 |
Bu |
1186 |
1124 |
145.35 |
|
|
|
| 12 |
Bu |
305 |
289 |
14.22 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8215.4 cm
-1
Scaled (by 0.948) Zero Point Vibrational Energy (zpe) 7788.2 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.