Vibrational Frequencies calculated at MP2=FULL/6-311G*
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' |
1377 |
1304 |
144.46 |
|
|
|
2 |
A' |
763 |
723 |
204.39 |
|
|
|
3 |
A' |
503 |
476 |
32.14 |
|
|
|
4 |
A' |
351 |
332 |
5.57 |
|
|
|
5 |
A" |
699 |
662 |
216.03 |
|
|
|
6 |
A" |
370 |
351 |
3.52 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2031.1 cm
-1
Scaled (by 0.9471) Zero Point Vibrational Energy (zpe) 1923.7 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.