Vibrational Frequencies calculated at MP2/6-311G*
| 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 |
1929 |
1833 |
0.00 |
|
|
|
| 2 |
Ag |
798 |
758 |
0.00 |
|
|
|
| 3 |
Ag |
403 |
383 |
0.00 |
|
|
|
| 4 |
Au |
204 |
194 |
0.00 |
|
|
|
| 5 |
B1u |
1208 |
1148 |
388.47 |
|
|
|
| 6 |
B1u |
561 |
533 |
2.67 |
|
|
|
| 7 |
B2g |
543 |
516 |
0.00 |
|
|
|
| 8 |
B2u |
1374 |
1306 |
419.80 |
|
|
|
| 9 |
B2u |
212 |
201 |
5.69 |
|
|
|
| 10 |
B3g |
1373 |
1305 |
0.00 |
|
|
|
| 11 |
B3g |
559 |
531 |
0.00 |
|
|
|
| 12 |
B3u |
434 |
412 |
4.96 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4798.4 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 4559.9 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.