Vibrational Frequencies calculated at MP2/6-311G*
| 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 |
1331 |
1265 |
0.00 |
|
|
|
| 2 |
Σu |
1268 |
1205 |
807.92 |
|
|
|
| 3 |
Πu |
178 |
170 |
802.56 |
|
|
|
| 3 |
Πu |
178 |
170 |
802.56 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1477.9 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 1404.4 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.