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 |
A1 |
505 |
488 |
19.69 |
|
|
|
| 2 |
A1 |
423 |
408 |
2.38 |
|
|
|
| 3 |
A1 |
258 |
249 |
42.12 |
|
|
|
| 4 |
B1 |
225 |
218 |
0.00 |
|
|
|
| 5 |
B2 |
424 |
410 |
0.00 |
|
|
|
| 6 |
B2 |
155 |
149 |
0.00 |
|
|
|
| 7 |
E |
596 |
575 |
88.12 |
|
|
|
| 7 |
E |
596 |
575 |
88.12 |
|
|
|
| 8 |
E |
289 |
279 |
4.21 |
|
|
|
| 8 |
E |
289 |
279 |
4.21 |
|
|
|
| 9 |
E |
177 |
171 |
7.01 |
|
|
|
| 9 |
E |
177 |
171 |
7.01 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2058.0 cm
-1
Scaled (by 0.9653) Zero Point Vibrational Energy (zpe) 1986.6 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.