Vibrational Frequencies calculated at MP3/cc-pVDZ
| 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' |
1854 |
1757 |
227.94 |
|
|
|
| 2 |
A' |
919 |
871 |
14.23 |
|
|
|
| 3 |
A' |
689 |
653 |
134.36 |
|
|
|
| 4 |
A' |
605 |
573 |
46.63 |
|
|
|
| 5 |
A' |
279 |
265 |
0.06 |
|
|
|
| 6 |
A" |
360 |
342 |
2.09 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2353.1 cm
-1
Scaled (by 0.9479) Zero Point Vibrational Energy (zpe) 2230.5 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.