Vibrational Frequencies calculated at CCSD(T)/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 |
3453 |
3380 |
0.00 |
|
|
|
| 2 |
A1 |
2548 |
2494 |
0.00 |
|
|
|
| 3 |
A1 |
1184 |
1159 |
0.00 |
|
|
|
| 4 |
A1 |
189 |
185 |
0.00 |
|
|
|
| 5 |
E |
3584 |
3508 |
0.00 |
|
|
|
| 5 |
E |
3584 |
3508 |
0.00 |
|
|
|
| 6 |
E |
1671 |
1635 |
0.00 |
|
|
|
| 6 |
E |
1671 |
1635 |
0.00 |
|
|
|
| 7 |
E |
757 |
741 |
0.00 |
|
|
|
| 7 |
E |
757 |
741 |
0.00 |
|
|
|
| 8 |
E |
221 |
216 |
0.00 |
|
|
|
| 8 |
E |
221 |
216 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9919.8 cm
-1
Scaled (by 0.9788) Zero Point Vibrational Energy (zpe) 9709.5 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.