Vibrational Frequencies calculated at CCSD=FULL/cc-pVTZ
| 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 |
794 |
753 |
59.93 |
|
|
|
| 2 |
A1 |
613 |
581 |
0.64 |
|
|
|
| 3 |
A1 |
396 |
375 |
35.65 |
|
|
|
| 4 |
A1 |
182 |
173 |
1.02 |
|
|
|
| 5 |
A2 |
396 |
375 |
0.00 |
|
|
|
| 6 |
B1 |
780 |
740 |
110.60 |
|
|
|
| 7 |
B1 |
270 |
256 |
15.07 |
|
|
|
| 8 |
B2 |
670 |
635 |
359.79 |
|
|
|
| 9 |
B2 |
432 |
410 |
20.68 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2266.1 cm
-1
Scaled (by 0.9481) Zero Point Vibrational Energy (zpe) 2148.5 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.