Vibrational Frequencies calculated at MP2/aug-cc-pVTZ
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A |
1360 |
1296 |
156.85 |
|
|
|
| 2 |
A |
623 |
594 |
20.16 |
|
|
|
| 3 |
A |
274 |
261 |
47.96 |
|
|
|
| 4 |
A |
134 |
127 |
23.66 |
|
|
|
| 5 |
B |
657 |
626 |
41.06 |
|
|
|
| 6 |
B |
479 |
456 |
60.10 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1762.6 cm
-1
Scaled (by 0.9529) Zero Point Vibrational Energy (zpe) 1679.6 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.