Vibrational Frequencies calculated at MP2/SDD
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A1' |
2536 |
2448 |
0.00 |
|
|
|
| 2 |
A2" |
1167 |
1127 |
59.68 |
|
|
|
| 3 |
E' |
2700 |
2606 |
180.06 |
|
|
|
| 3 |
E' |
2700 |
2606 |
180.06 |
|
|
|
| 4 |
E' |
1171 |
1130 |
13.00 |
|
|
|
| 4 |
E' |
1171 |
1130 |
13.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5722.4 cm
-1
Scaled (by 0.9653) Zero Point Vibrational Energy (zpe) 5523.8 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.