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' |
808 |
770 |
188.84 |
|
|
|
| 2 |
A' |
698 |
665 |
172.09 |
|
|
|
| 3 |
A' |
378 |
360 |
10.21 |
|
|
|
| 4 |
A' |
307 |
293 |
9.06 |
|
|
|
| 5 |
A" |
677 |
644 |
139.62 |
|
|
|
| 6 |
A" |
255 |
243 |
0.15 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1561.0 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 1486.8 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.