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' |
1857 |
1800 |
|
|
|
|
| 2 |
A' |
1288 |
1249 |
|
|
|
|
| 3 |
A' |
911 |
883 |
|
|
|
|
| 4 |
A' |
759 |
736 |
|
|
|
|
| 5 |
A' |
587 |
569 |
|
|
|
|
| 6 |
A' |
380 |
369 |
|
|
|
|
| 7 |
A' |
273 |
264 |
|
|
|
|
| 8 |
A" |
681 |
660 |
|
|
|
|
| 9 |
A" |
151 |
147 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3443.7 cm
-1
Scaled (by 0.9692) Zero Point Vibrational Energy (zpe) 3337.7 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.