Vibrational Frequencies calculated at MP2/daug-cc-pVTZ
| 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 |
3496 |
3496 |
0.13 |
|
|
|
| 2 |
A1 |
2300 |
2300 |
2063.33 |
|
|
|
| 3 |
A1 |
1116 |
1116 |
125.34 |
|
|
|
| 4 |
A1 |
187 |
187 |
33.74 |
|
|
|
| 5 |
E |
3642 |
3642 |
24.27 |
|
|
|
| 5 |
E |
3642 |
3642 |
24.27 |
|
|
|
| 6 |
E |
1664 |
1664 |
20.91 |
|
|
|
| 6 |
E |
1664 |
1664 |
20.91 |
|
|
|
| 7 |
E |
812 |
812 |
27.81 |
|
|
|
| 7 |
E |
812 |
812 |
27.81 |
|
|
|
| 8 |
E |
232 |
232 |
15.42 |
|
|
|
| 8 |
E |
232 |
232 |
15.42 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9898.9 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 9898.9 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.