Vibrational Frequencies calculated at CCSD(T)/cc-pVQZ
| 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 |
3482 |
3376 |
0.00 |
|
|
|
| 2 |
A1 |
2419 |
2345 |
0.00 |
|
|
|
| 3 |
A1 |
1127 |
1093 |
0.00 |
|
|
|
| 4 |
A1 |
179 |
173 |
0.00 |
|
|
|
| 5 |
E |
3612 |
3503 |
0.00 |
|
|
|
| 5 |
E |
3612 |
3502 |
0.00 |
|
|
|
| 6 |
E |
1672 |
1622 |
0.00 |
|
|
|
| 6 |
E |
1672 |
1621 |
0.00 |
|
|
|
| 7 |
E |
748 |
725 |
0.00 |
|
|
|
| 7 |
E |
748 |
725 |
0.00 |
|
|
|
| 8 |
E |
217 |
210 |
0.00 |
|
|
|
| 8 |
E |
217 |
210 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9851.7 cm
-1
Scaled (by 0.9697) Zero Point Vibrational Energy (zpe) 9553.2 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.