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 |
A' |
3116 |
2962 |
33.82 |
|
|
|
2 |
A' |
1815 |
1725 |
316.72 |
|
|
|
3 |
A' |
1391 |
1322 |
38.94 |
|
|
|
4 |
A' |
755 |
717 |
232.57 |
|
|
|
5 |
A' |
467 |
444 |
15.76 |
|
|
|
6 |
A" |
961 |
913 |
2.49 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4252.4 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 4041.1 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.