Vibrational Frequencies calculated at MP2/LANL2DZ
| 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' |
1568 |
1510 |
229.52 |
|
|
|
| 2 |
A' |
864 |
832 |
3.62 |
|
|
|
| 3 |
A' |
619 |
597 |
20.41 |
|
|
|
| 4 |
A' |
383 |
369 |
46.17 |
|
|
|
| 5 |
A' |
202 |
194 |
0.45 |
|
|
|
| 6 |
A" |
244 |
235 |
0.77 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1939.8 cm
-1
Scaled (by 0.9631) Zero Point Vibrational Energy (zpe) 1868.2 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.