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 |
A' |
3744 |
3606 |
|
|
|
|
| 2 |
A' |
1798 |
1732 |
|
|
|
|
| 3 |
A' |
1367 |
1317 |
|
|
|
|
| 4 |
A' |
1347 |
1297 |
|
|
|
|
| 5 |
A' |
901 |
868 |
|
|
|
|
| 6 |
A' |
652 |
628 |
|
|
|
|
| 7 |
A' |
580 |
559 |
|
|
|
|
| 8 |
A" |
766 |
738 |
|
|
|
|
| 9 |
A" |
479 |
461 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5816.9 cm
-1
Scaled (by 0.9632) Zero Point Vibrational Energy (zpe) 5602.9 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.