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 |
A1 |
1087 |
1033 |
15.87 |
22.33 |
0.21 |
0.34 |
| 2 |
A1 |
496 |
471 |
34.98 |
5.74 |
0.71 |
0.83 |
| 3 |
B2 |
1310 |
1244 |
95.69 |
16.82 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 1446.2 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 1374.3 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.