Vibrational Frequencies calculated at MP2=FULL/cc-pVDZ
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' |
1091 |
1037 |
85.54 |
|
|
|
2 |
A' |
369 |
350 |
64.43 |
|
|
|
3 |
A' |
263 |
250 |
9.26 |
|
|
|
4 |
A' |
146 |
139 |
0.75 |
|
|
|
5 |
A" |
337 |
320 |
124.85 |
|
|
|
6 |
A" |
225 |
214 |
0.56 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1215.2 cm
-1
Scaled (by 0.9504) Zero Point Vibrational Energy (zpe) 1154.9 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.