Vibrational Frequencies calculated at MP3/6-31G*
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 |
283 |
266 |
0.00 |
|
|
|
2 |
Ag |
132 |
124 |
0.00 |
|
|
|
3 |
B1u |
299 |
280 |
96.00 |
|
|
|
4 |
B2u |
247 |
232 |
103.58 |
|
|
|
5 |
B3g |
253 |
238 |
0.00 |
|
|
|
6 |
B3u |
94 |
88 |
73.39 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 653.6 cm
-1
Scaled (by 0.9386) Zero Point Vibrational Energy (zpe) 613.5 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.