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 |
A1' |
493 |
468 |
0.00 |
7.34 |
0.13 |
0.23 |
2 |
A2" |
470 |
447 |
7.59 |
0.00 |
0.00 |
0.00 |
3 |
E' |
999 |
949 |
437.38 |
0.01 |
0.75 |
0.86 |
3 |
E' |
999 |
949 |
437.38 |
0.01 |
0.75 |
0.86 |
4 |
E' |
270 |
257 |
0.83 |
4.39 |
0.75 |
0.86 |
4 |
E' |
270 |
257 |
0.83 |
4.39 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 1751.1 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 1663.9 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.