Vibrational Frequencies calculated at QCISD/6-31G
| 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 |
374 |
360 |
0.00 |
|
|
|
| 2 |
Ag |
705 |
679 |
0.00 |
|
|
|
| 3 |
B1u |
662 |
638 |
228.58 |
|
|
|
| 4 |
B2u |
601 |
579 |
295.22 |
|
|
|
| 5 |
B3g |
583 |
562 |
0.00 |
|
|
|
| 6 |
B3u |
304 |
293 |
241.42 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1614.0 cm
-1
Scaled (by 0.9636) Zero Point Vibrational Energy (zpe) 1555.3 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.