Vibrational Frequencies calculated at MP2/TZVP
| 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 |
3299 |
3127 |
0.00 |
|
|
|
| 2 |
Ag |
1759 |
1667 |
0.00 |
|
|
|
| 3 |
Ag |
1335 |
1265 |
0.00 |
|
|
|
| 4 |
Ag |
1165 |
1105 |
0.00 |
|
|
|
| 5 |
Ag |
560 |
531 |
0.00 |
|
|
|
| 6 |
Au |
914 |
867 |
72.96 |
|
|
|
| 7 |
Au |
337 |
320 |
5.17 |
|
|
|
| 8 |
Bg |
797 |
755 |
0.00 |
|
|
|
| 9 |
Bu |
3292 |
3120 |
12.01 |
|
|
|
| 10 |
Bu |
1326 |
1257 |
15.01 |
|
|
|
| 11 |
Bu |
1190 |
1128 |
302.56 |
|
|
|
| 12 |
Bu |
320 |
304 |
14.40 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8147.2 cm
-1
Scaled (by 0.9479) Zero Point Vibrational Energy (zpe) 7722.7 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.