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' |
3233 |
3134 |
|
|
|
|
| 2 |
A' |
3134 |
3038 |
|
|
|
|
| 3 |
A' |
2381 |
2308 |
|
|
|
|
| 4 |
A' |
1452 |
1407 |
|
|
|
|
| 5 |
A' |
1030 |
998 |
|
|
|
|
| 6 |
A' |
974 |
944 |
|
|
|
|
| 7 |
A' |
738 |
715 |
|
|
|
|
| 8 |
A" |
900 |
872 |
|
|
|
|
| 9 |
A" |
843 |
817 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7342.1 cm
-1
Scaled (by 0.9692) Zero Point Vibrational Energy (zpe) 7116.0 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.