Vibrational Frequencies calculated at MP2/6-311G*
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 |
3875 |
3683 |
43.50 |
|
|
|
2 |
A |
3328 |
3162 |
18.80 |
|
|
|
3 |
A |
3171 |
3014 |
28.21 |
|
|
|
4 |
A |
1535 |
1459 |
9.04 |
|
|
|
5 |
A |
1409 |
1339 |
37.13 |
|
|
|
6 |
A |
1233 |
1172 |
108.75 |
|
|
|
7 |
A |
1103 |
1048 |
51.64 |
|
|
|
8 |
A |
749 |
711 |
62.64 |
|
|
|
9 |
A |
486 |
462 |
118.07 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8444.6 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 8024.9 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.