Vibrational Frequencies calculated at MP2/6-31G*
| 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 |
281 |
265 |
0.00 |
|
|
|
| 2 |
Ag |
132 |
124 |
0.00 |
|
|
|
| 3 |
B1u |
297 |
280 |
95.26 |
|
|
|
| 4 |
B2u |
246 |
232 |
103.27 |
|
|
|
| 5 |
B3g |
252 |
237 |
0.00 |
|
|
|
| 6 |
B3u |
93 |
88 |
72.84 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 649.6 cm
-1
Scaled (by 0.943) Zero Point Vibrational Energy (zpe) 612.6 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.