Vibrational Frequencies calculated at CCSD(T)/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 |
3164 |
3084 |
|
|
|
|
| 2 |
A1 |
1796 |
1750 |
|
|
|
|
| 3 |
A1 |
1390 |
1355 |
|
|
|
|
| 4 |
A1 |
844 |
823 |
|
|
|
|
| 5 |
B1 |
710 |
692 |
|
|
|
|
| 6 |
B1 |
408 |
398 |
|
|
|
|
| 7 |
B2 |
3255 |
3173 |
|
|
|
|
| 8 |
B2 |
940 |
916 |
|
|
|
|
| 9 |
B2 |
352 |
343 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6429.3 cm
-1
Scaled (by 0.9748) Zero Point Vibrational Energy (zpe) 6267.3 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.