Vibrational Frequencies calculated at MP2/aug-cc-pVDZ
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 |
1477 |
1416 |
0.00 |
|
|
|
2 |
Ag |
998 |
957 |
0.00 |
|
|
|
3 |
Ag |
599 |
574 |
0.00 |
|
|
|
4 |
Au |
358 |
343 |
2.46 |
|
|
|
5 |
Bu |
989 |
948 |
209.29 |
|
|
|
6 |
Bu |
414 |
397 |
8.55 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2416.9 cm
-1
Scaled (by 0.959) Zero Point Vibrational Energy (zpe) 2317.8 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.