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 |
Ag |
366 |
347 |
0.00 |
|
|
|
| 2 |
Ag |
702 |
666 |
0.00 |
|
|
|
| 3 |
B1u |
692 |
656 |
210.25 |
|
|
|
| 4 |
B2u |
583 |
553 |
297.97 |
|
|
|
| 5 |
B3g |
576 |
546 |
0.00 |
|
|
|
| 6 |
B3u |
307 |
291 |
223.90 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1613.6 cm
-1
Scaled (by 0.9479) Zero Point Vibrational Energy (zpe) 1529.5 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.