Vibrational Frequencies calculated at CCSD(T)/daug-cc-pVDZ
| 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 |
3433 |
3433 |
0.00 |
|
|
|
| 2 |
A1 |
2385 |
2385 |
0.00 |
|
|
|
| 3 |
A1 |
1140 |
1140 |
0.00 |
|
|
|
| 4 |
A1 |
182 |
182 |
0.00 |
|
|
|
| 5 |
E |
3572 |
3572 |
0.00 |
|
|
|
| 5 |
E |
3571 |
3571 |
0.00 |
|
|
|
| 6 |
E |
1647 |
1647 |
0.00 |
|
|
|
| 6 |
E |
1645 |
1645 |
0.00 |
|
|
|
| 7 |
E |
758 |
758 |
0.00 |
|
|
|
| 7 |
E |
758 |
758 |
0.00 |
|
|
|
| 8 |
E |
212 |
212 |
0.00 |
|
|
|
| 8 |
E |
207 |
207 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9754.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 9754.6 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.