Vibrational Frequencies calculated at CCSD=FULL/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 |
A1' |
1023 |
1023 |
0.00 |
|
|
|
2 |
A2" |
479 |
479 |
31.79 |
|
|
|
3 |
E' |
1330 |
1330 |
185.44 |
|
|
|
3 |
E' |
1330 |
1330 |
185.42 |
|
|
|
4 |
E' |
496 |
496 |
26.73 |
|
|
|
4 |
E' |
496 |
496 |
26.73 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2576.1 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 2576.1 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.