Vibrational Frequencies calculated at MP3/cc-pVTZ
| 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 |
1751 |
167.49 |
|
|
|
| 2 |
A' |
1055 |
997 |
5.59 |
|
|
|
| 3 |
A' |
864 |
816 |
43.89 |
|
|
|
| 4 |
A' |
638 |
603 |
168.93 |
|
|
|
| 5 |
A' |
342 |
323 |
1.38 |
|
|
|
| 6 |
A" |
371 |
351 |
0.28 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2562.2 cm
-1
Scaled (by 0.9447) Zero Point Vibrational Energy (zpe) 2420.5 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.