Vibrational Frequencies calculated at MP4/aug-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' |
1753 |
1706 |
|
|
|
|
| 2 |
A' |
888 |
864 |
|
|
|
|
| 3 |
A' |
717 |
698 |
|
|
|
|
| 4 |
A' |
371 |
361 |
|
|
|
|
| 5 |
A' |
248 |
241 |
|
|
|
|
| 6 |
A" |
328 |
319 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2152.1 cm
-1
Scaled (by 0.9732) Zero Point Vibrational Energy (zpe) 2094.4 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.