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' |
1807 |
1751 |
|
|
|
|
| 2 |
A' |
1259 |
1220 |
|
|
|
|
| 3 |
A' |
754 |
731 |
|
|
|
|
| 4 |
A' |
721 |
698 |
|
|
|
|
| 5 |
A' |
464 |
450 |
|
|
|
|
| 6 |
A' |
354 |
343 |
|
|
|
|
| 7 |
A' |
204 |
198 |
|
|
|
|
| 8 |
A" |
692 |
671 |
|
|
|
|
| 9 |
A" |
117 |
114 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3186.0 cm
-1
Scaled (by 0.9692) Zero Point Vibrational Energy (zpe) 3087.9 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.