Vibrational Frequencies calculated at MP4=FULL/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 |
A1 |
1318 |
1267 |
|
|
|
|
2 |
A1 |
782 |
752 |
|
|
|
|
3 |
A1 |
479 |
461 |
|
|
|
|
4 |
B1 |
719 |
691 |
|
|
|
|
5 |
B2 |
1908 |
1834 |
|
|
|
|
6 |
B2 |
526 |
506 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2865.9 cm
-1
Scaled (by 0.9615) Zero Point Vibrational Energy (zpe) 2755.5 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.