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 |
A' |
2750 |
2612 |
7.42 |
|
|
|
2 |
A' |
2139 |
2031 |
1.77 |
|
|
|
3 |
A' |
976 |
927 |
8.38 |
|
|
|
4 |
A' |
708 |
672 |
0.10 |
|
|
|
5 |
A' |
333 |
316 |
4.08 |
|
|
|
6 |
A" |
382 |
363 |
0.77 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3644.3 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 3460.3 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.