Vibrational Frequencies calculated at MP2/SDD
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 |
3240 |
3127 |
0.00 |
|
|
|
2 |
Ag |
1577 |
1522 |
0.00 |
|
|
|
3 |
Ag |
1283 |
1238 |
0.00 |
|
|
|
4 |
Au |
1297 |
1252 |
133.10 |
|
|
|
5 |
Bu |
3277 |
3163 |
46.34 |
|
|
|
6 |
Bu |
1276 |
1232 |
96.44 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5974.8 cm
-1
Scaled (by 0.9653) Zero Point Vibrational Energy (zpe) 5767.5 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.