Vibrational Frequencies calculated at MP2/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 |
Ag |
688 |
653 |
0.00 |
|
|
|
| 2 |
Ag |
346 |
328 |
0.00 |
|
|
|
| 3 |
B1u |
536 |
509 |
160.78 |
|
|
|
| 4 |
B2u |
248 |
235 |
114.47 |
|
|
|
| 5 |
B3g |
474 |
450 |
0.00 |
|
|
|
| 6 |
B3u |
64 |
61 |
115.08 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1177.5 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 1118.0 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.