Vibrational Frequencies calculated at MP3/daug-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 |
366 |
0.00 |
|
|
|
| 2 |
Ag |
670 |
670 |
0.00 |
|
|
|
| 3 |
B1u |
677 |
677 |
299.90 |
|
|
|
| 4 |
B2u |
575 |
575 |
286.15 |
|
|
|
| 5 |
B3g |
574 |
574 |
0.00 |
|
|
|
| 6 |
B3u |
277 |
277 |
212.17 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1568.9 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 1568.9 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.