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' |
3864 |
3720 |
|
|
|
|
| 2 |
A' |
3470 |
3341 |
|
|
|
|
| 3 |
A' |
1671 |
1609 |
|
|
|
|
| 4 |
A' |
1416 |
1363 |
|
|
|
|
| 5 |
A' |
1168 |
1125 |
|
|
|
|
| 6 |
A' |
925 |
891 |
|
|
|
|
| 7 |
A" |
3554 |
3422 |
|
|
|
|
| 8 |
A" |
1330 |
1281 |
|
|
|
|
| 9 |
A" |
409 |
394 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8903.3 cm
-1
Scaled (by 0.9629) Zero Point Vibrational Energy (zpe) 8573.0 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.