Vibrational Frequencies calculated at MP2/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 |
A1 |
704 |
668 |
40.24 |
|
|
|
2 |
A1 |
570 |
541 |
2.06 |
|
|
|
3 |
A1 |
254 |
241 |
15.14 |
|
|
|
4 |
B1 |
258 |
245 |
15.94 |
|
|
|
5 |
B2 |
648 |
616 |
307.23 |
|
|
|
6 |
B2 |
368 |
349 |
4.28 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1400.6 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 1329.9 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.