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 |
A |
762 |
729 |
3.15 |
|
|
|
| 2 |
A |
540 |
516 |
9.06 |
|
|
|
| 3 |
A |
381 |
364 |
0.44 |
|
|
|
| 4 |
A |
167 |
160 |
0.31 |
|
|
|
| 5 |
B |
744 |
712 |
13.94 |
|
|
|
| 6 |
B |
469 |
448 |
6.35 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1530.9 cm
-1
Scaled (by 0.9568) Zero Point Vibrational Energy (zpe) 1464.8 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.