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' |
3160 |
3010 |
38.48 |
|
|
|
2 |
A' |
1882 |
1793 |
227.42 |
|
|
|
3 |
A' |
1395 |
1329 |
2.15 |
|
|
|
4 |
A' |
1104 |
1052 |
247.81 |
|
|
|
5 |
A' |
666 |
634 |
21.62 |
|
|
|
6 |
A" |
1046 |
996 |
0.26 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4625.9 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 4406.2 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.