Vibrational Frequencies calculated at MP2/3-21G
| 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 |
3145 |
0.00 |
|
|
|
| 2 |
Ag |
1758 |
1678 |
0.00 |
|
|
|
| 3 |
Ag |
1358 |
1296 |
0.00 |
|
|
|
| 4 |
Ag |
1145 |
1093 |
0.00 |
|
|
|
| 5 |
Ag |
544 |
520 |
0.00 |
|
|
|
| 6 |
Au |
989 |
944 |
70.98 |
|
|
|
| 7 |
Au |
338 |
323 |
9.34 |
|
|
|
| 8 |
Bg |
863 |
824 |
0.00 |
|
|
|
| 9 |
Bu |
3291 |
3141 |
6.95 |
|
|
|
| 10 |
Bu |
1357 |
1295 |
8.50 |
|
|
|
| 11 |
Bu |
1185 |
1132 |
145.40 |
|
|
|
| 12 |
Bu |
305 |
291 |
14.23 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8213.7 cm
-1
Scaled (by 0.9545) Zero Point Vibrational Energy (zpe) 7840.0 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.