Vibrational Frequencies calculated at MP3=FULL/6-31+G**
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
Σ |
3927 |
3659 |
280.47 |
|
|
|
| 2 |
Σ |
2172 |
2024 |
65.58 |
|
|
|
| 3 |
Π |
507 |
472 |
172.07 |
|
|
|
| 3 |
Π |
507 |
472 |
172.07 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3556.6 cm
-1
Scaled (by 0.9316) Zero Point Vibrational Energy (zpe) 3313.3 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.