Vibrational Frequencies calculated at CCSD(T)=FULL/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 |
A1 |
2880 |
2796 |
|
|
|
|
| 2 |
A1 |
1541 |
1496 |
|
|
|
|
| 3 |
A1 |
1222 |
1186 |
|
|
|
|
| 4 |
A1 |
488 |
473 |
|
|
|
|
| 5 |
E |
2896 |
2811 |
|
|
|
|
| 5 |
E |
2896 |
2811 |
|
|
|
|
| 6 |
E |
1541 |
1496 |
|
|
|
|
| 6 |
E |
1541 |
1496 |
|
|
|
|
| 7 |
E |
1206 |
1171 |
|
|
|
|
| 7 |
E |
1206 |
1171 |
|
|
|
|
| 8 |
E |
111 |
108 |
|
|
|
|
| 8 |
E |
110 |
107 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8818.7 cm
-1
Scaled (by 0.9707) Zero Point Vibrational Energy (zpe) 8560.3 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.