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' |
3847 |
3729 |
|
|
|
|
2 |
A' |
3447 |
3341 |
|
|
|
|
3 |
A' |
1665 |
1614 |
|
|
|
|
4 |
A' |
1413 |
1369 |
|
|
|
|
5 |
A' |
1168 |
1132 |
|
|
|
|
6 |
A' |
918 |
890 |
|
|
|
|
7 |
A" |
3534 |
3426 |
|
|
|
|
8 |
A" |
1326 |
1285 |
|
|
|
|
9 |
A" |
403 |
391 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8860.5 cm
-1
Scaled (by 0.9692) Zero Point Vibrational Energy (zpe) 8587.6 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.