Vibrational Frequencies calculated at MP2/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' |
2022 |
1926 |
196.29 |
|
|
|
2 |
A' |
1359 |
1295 |
184.70 |
|
|
|
3 |
A' |
934 |
890 |
7.73 |
|
|
|
4 |
A' |
792 |
755 |
158.99 |
|
|
|
5 |
A' |
603 |
574 |
19.04 |
|
|
|
6 |
A' |
393 |
374 |
66.36 |
|
|
|
7 |
A' |
290 |
276 |
0.74 |
|
|
|
8 |
A" |
699 |
666 |
10.52 |
|
|
|
9 |
A" |
151 |
144 |
0.01 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3621.4 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 3449.4 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.