Vibrational Frequencies calculated at CCSD(T)/TZVP
Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
1 |
0 |
1 |
1 |
0.00 |
|
|
|
1 |
0.7 |
|
|
0.00 |
|
|
|
1 |
-0.09 |
|
|
0.00 |
|
|
|
1 |
0 |
0i |
0i |
0.00 |
|
|
|
1 |
0 |
|
|
-0.26 |
|
|
|
1 |
0 |
|
|
0.58 |
|
|
|
1 |
0 |
|
|
0.03 |
|
|
|
1 |
0 |
|
|
0.00 |
|
|
|
1 |
0 |
|
|
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 0.3 cm
-1
Scaled (by 0.9625) Zero Point Vibrational Energy (zpe) 0.3 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.