Vibrational Frequencies calculated at CCSD(T)=FULL/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 |
3458 |
3331 |
0.00 |
|
|
|
| 2 |
A1 |
2557 |
2462 |
0.00 |
|
|
|
| 3 |
A1 |
1184 |
1141 |
0.00 |
|
|
|
| 4 |
A1 |
190 |
183 |
0.00 |
|
|
|
| 5 |
E |
3590 |
3458 |
0.00 |
|
|
|
| 5 |
E |
3590 |
3458 |
0.00 |
|
|
|
| 6 |
E |
1673 |
1612 |
0.00 |
|
|
|
| 6 |
E |
1673 |
1611 |
0.00 |
|
|
|
| 7 |
E |
759 |
731 |
0.00 |
|
|
|
| 7 |
E |
759 |
731 |
0.00 |
|
|
|
| 8 |
E |
222 |
213 |
0.00 |
|
|
|
| 8 |
E |
221 |
213 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9937.3 cm
-1
Scaled (by 0.9632) Zero Point Vibrational Energy (zpe) 9571.6 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.