Vibrational Frequencies calculated at MP2=FULL/6-311G*
| 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 |
277 |
262 |
0.00 |
|
|
|
| 2 |
Ag |
132 |
125 |
0.00 |
|
|
|
| 3 |
B1u |
297 |
281 |
111.75 |
|
|
|
| 4 |
B2u |
244 |
231 |
105.53 |
|
|
|
| 5 |
B3g |
253 |
239 |
0.00 |
|
|
|
| 6 |
B3u |
95 |
90 |
75.86 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 649.0 cm
-1
Scaled (by 0.9471) Zero Point Vibrational Energy (zpe) 614.6 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.