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 |
2375 |
2257 |
8.86 |
192.44 |
0.10 |
0.17 |
2 |
A |
770 |
732 |
0.05 |
25.97 |
0.52 |
0.69 |
3 |
A |
373 |
354 |
8.70 |
21.92 |
0.75 |
0.86 |
4 |
A |
298 |
283 |
0.02 |
12.21 |
0.26 |
0.41 |
5 |
B |
2376 |
2258 |
11.21 |
150.52 |
0.75 |
0.86 |
6 |
B |
767 |
728 |
8.33 |
11.99 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 3478.6 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 3305.7 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.