Vibrational Frequencies calculated at CCSD(T)=FULL/daug-cc-pVTZ
| 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 |
3842 |
3842 |
|
|
|
|
| 2 |
A |
3145 |
3145 |
|
|
|
|
| 3 |
A |
3066 |
3066 |
|
|
|
|
| 4 |
A |
1560 |
1560 |
|
|
|
|
| 5 |
A |
1462 |
1462 |
|
|
|
|
| 6 |
A |
1418 |
1418 |
|
|
|
|
| 7 |
A |
1284 |
1284 |
|
|
|
|
| 8 |
A |
1155 |
1155 |
|
|
|
|
| 9 |
A |
1088 |
1088 |
|
|
|
|
| 10 |
A |
1034 |
1034 |
|
|
|
|
| 11 |
A |
546 |
546 |
|
|
|
|
| 12 |
A |
385 |
385 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9991.2 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 9991.2 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.