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 |
525 |
502 |
0.00 |
|
|
|
2 |
Ag |
398 |
381 |
0.00 |
|
|
|
3 |
B1u |
654 |
626 |
58.91 |
|
|
|
4 |
B2u |
64990 |
62182 |
0.00 |
|
|
|
5 |
B3g |
648 |
620 |
0.00 |
|
|
|
6 |
B3u |
444 |
425 |
13.08 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 33829.1 cm
-1
Scaled (by 0.9568) Zero Point Vibrational Energy (zpe) 32367.7 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.