Vibrational Frequencies calculated at CCSD=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 |
2711 |
2711 |
6.68 |
|
|
|
| 2 |
A |
901 |
901 |
0.33 |
|
|
|
| 3 |
A |
509 |
509 |
0.06 |
|
|
|
| 4 |
A |
419 |
419 |
16.03 |
|
|
|
| 5 |
B |
2713 |
2713 |
10.24 |
|
|
|
| 6 |
B |
904 |
904 |
3.59 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4078.4 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 4078.4 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.