Vibrational Frequencies calculated at MP3/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' |
1436 |
1436 |
192.52 |
|
|
|
2 |
A' |
873 |
873 |
197.80 |
|
|
|
3 |
A' |
566 |
566 |
29.13 |
|
|
|
4 |
A' |
403 |
403 |
5.93 |
|
|
|
5 |
A" |
807 |
807 |
220.15 |
|
|
|
6 |
A" |
413 |
413 |
6.13 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2248.9 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 2248.9 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.