Vibrational Frequencies calculated at MP2=FULL/cc-pV(T+d)Z
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' |
875 |
830 |
112.80 |
|
|
|
2 |
A' |
602 |
570 |
13.69 |
|
|
|
3 |
A' |
376 |
357 |
13.43 |
|
|
|
4 |
A' |
185 |
175 |
6.68 |
|
|
|
5 |
A" |
761 |
721 |
546.17 |
|
|
|
6 |
A" |
482 |
457 |
1.24 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1639.9 cm
-1
Scaled (by 0.9481) Zero Point Vibrational Energy (zpe) 1554.8 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.