Vibrational Frequencies calculated at MP4=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 |
A' |
2708 |
2607 |
|
|
|
|
2 |
A' |
2130 |
2051 |
|
|
|
|
3 |
A' |
979 |
943 |
|
|
|
|
4 |
A' |
693 |
667 |
|
|
|
|
5 |
A' |
338 |
325 |
|
|
|
|
6 |
A" |
396 |
381 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3621.4 cm
-1
Scaled (by 0.9629) Zero Point Vibrational Energy (zpe) 3487.0 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.