Vibrational Frequencies calculated at MP2/6-31G
| 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 |
1643 |
1572 |
7.06 |
17.18 |
0.09 |
0.17 |
| 2 |
A1 |
738 |
706 |
125.69 |
46.86 |
0.38 |
0.55 |
| 3 |
B2 |
284i |
271i |
126.98 |
8.06 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 1048.8 cm
-1
Scaled (by 0.9568) Zero Point Vibrational Energy (zpe) 1003.5 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.