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 |
Σ |
2346 |
2346 |
1755.02 |
|
|
|
| 2 |
Σ |
1990 |
1990 |
43.99 |
|
|
|
| 3 |
Σ |
966 |
966 |
0.02 |
|
|
|
| 4 |
Π |
609 |
609 |
37.55 |
|
|
|
| 4 |
Π |
609 |
609 |
37.55 |
|
|
|
| 5 |
Π |
146 |
146 |
2.47 |
|
|
|
| 5 |
Π |
146 |
146 |
2.47 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3405.7 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 3405.7 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.