Vibrational Frequencies calculated at CCSD(T)=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 |
A' |
3660 |
3526 |
|
|
|
|
| 2 |
A' |
2007 |
1933 |
|
|
|
|
| 3 |
A' |
871 |
839 |
|
|
|
|
| 4 |
A' |
692 |
667 |
|
|
|
|
| 5 |
A' |
435 |
419 |
|
|
|
|
| 6 |
A" |
466 |
449 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4065.9 cm
-1
Scaled (by 0.9632) Zero Point Vibrational Energy (zpe) 3916.3 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.