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 |
Σg |
2464 |
2363 |
0.00 |
|
|
|
| 2 |
Σg |
762 |
730 |
0.00 |
|
|
|
| 3 |
Σu |
1333 |
1278 |
299.76 |
|
|
|
| 4 |
Πg |
232 |
223 |
0.00 |
|
|
|
| 4 |
Πg |
232 |
223 |
0.00 |
|
|
|
| 5 |
Πu |
270 |
259 |
0.02 |
|
|
|
| 5 |
Πu |
270 |
259 |
0.02 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2781.7 cm
-1
Scaled (by 0.959) Zero Point Vibrational Energy (zpe) 2667.7 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.