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 |
A |
3790 |
3790 |
|
|
|
|
| 2 |
A |
3149 |
3149 |
|
|
|
|
| 3 |
A |
3057 |
3057 |
|
|
|
|
| 4 |
A |
1508 |
1508 |
|
|
|
|
| 5 |
A |
1427 |
1427 |
|
|
|
|
| 6 |
A |
1394 |
1394 |
|
|
|
|
| 7 |
A |
1247 |
1247 |
|
|
|
|
| 8 |
A |
1128 |
1128 |
|
|
|
|
| 9 |
A |
1060 |
1060 |
|
|
|
|
| 10 |
A |
986 |
986 |
|
|
|
|
| 11 |
A |
526 |
526 |
|
|
|
|
| 12 |
A |
359 |
359 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9815.0 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 9815.0 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.