Vibrational Frequencies calculated at MP4/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' |
3449 |
3343 |
|
|
|
|
2 |
A' |
1602 |
1552 |
|
|
|
|
3 |
A' |
1099 |
1065 |
|
|
|
|
4 |
A' |
692 |
671 |
|
|
|
|
5 |
A" |
3549 |
3439 |
|
|
|
|
6 |
A" |
1192 |
1156 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5791.6 cm
-1
Scaled (by 0.9692) Zero Point Vibrational Energy (zpe) 5613.2 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.