Vibrational Frequencies calculated at MP2/LANL2DZ
| 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 |
3010 |
2899 |
39.08 |
|
|
|
| 2 |
A1 |
1227 |
1182 |
0.53 |
|
|
|
| 3 |
A1 |
467 |
450 |
11.04 |
|
|
|
| 4 |
E |
3131 |
3015 |
22.41 |
|
|
|
| 4 |
E |
3131 |
3015 |
22.41 |
|
|
|
| 5 |
E |
1472 |
1418 |
9.55 |
|
|
|
| 5 |
E |
1472 |
1418 |
9.55 |
|
|
|
| 6 |
E |
624 |
601 |
3.21 |
|
|
|
| 6 |
E |
624 |
601 |
3.21 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7579.8 cm
-1
Scaled (by 0.9631) Zero Point Vibrational Energy (zpe) 7300.1 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.