Vibrational Frequencies calculated at MP2/SDD
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' |
1505 |
1453 |
194.37 |
|
|
|
2 |
A' |
658 |
635 |
14.69 |
|
|
|
3 |
A' |
537 |
519 |
137.71 |
|
|
|
4 |
A' |
283 |
273 |
59.48 |
|
|
|
5 |
A' |
166 |
160 |
1.13 |
|
|
|
6 |
A" |
130 |
126 |
0.11 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1639.4 cm
-1
Scaled (by 0.9653) Zero Point Vibrational Energy (zpe) 1582.5 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.