Vibrational Frequencies calculated at MP2=FULL/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 |
280 |
264 |
0.00 |
|
|
|
| 2 |
Ag |
132 |
124 |
0.00 |
|
|
|
| 3 |
B1u |
296 |
279 |
95.32 |
|
|
|
| 4 |
B2u |
245 |
231 |
103.30 |
|
|
|
| 5 |
B3g |
251 |
237 |
0.00 |
|
|
|
| 6 |
B3u |
94 |
88 |
72.85 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 648.9 cm
-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 611.4 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.