Vibrational Frequencies calculated at MP2/6-31G(2df,p)
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A1 |
1384 |
1307 |
0.25 |
5249272.00 |
0.33 |
0.50 |
| 2 |
A1 |
766 |
723 |
5.22 |
6.12 |
0.24 |
0.38 |
| 3 |
B2 |
3659 |
3456 |
36082.95 |
872287.60 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 2904.4 cm
-1
Scaled (by 0.9445) Zero Point Vibrational Energy (zpe) 2743.3 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.