Vibrational Frequencies calculated at MP2/3-21G*
| 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 |
263 |
250 |
0.00 |
|
|
|
| 2 |
Ag |
128 |
122 |
0.00 |
|
|
|
| 3 |
B1u |
282 |
268 |
94.38 |
|
|
|
| 4 |
B2u |
234 |
223 |
103.76 |
|
|
|
| 5 |
B3g |
238 |
226 |
0.00 |
|
|
|
| 6 |
B3u |
93 |
88 |
74.46 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 618.4 cm
-1
Scaled (by 0.9513) Zero Point Vibrational Energy (zpe) 588.3 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.