Vibrational Frequencies calculated at MP2=FULL/aug-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 |
252 |
244 |
0.00 |
|
|
|
| 2 |
Ag |
136 |
132 |
0.00 |
|
|
|
| 3 |
B1u |
267 |
258 |
110.56 |
|
|
|
| 4 |
B2u |
220 |
214 |
101.00 |
|
|
|
| 5 |
B3g |
226 |
219 |
0.00 |
|
|
|
| 6 |
B3u |
93 |
90 |
69.08 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 596.8 cm
-1
Scaled (by 0.9692) Zero Point Vibrational Energy (zpe) 578.4 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.