Vibrational Frequencies calculated at MP2=FULL/6-31+G**
| 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 |
1372 |
1288 |
1.10 |
12350.96 |
0.33 |
0.49 |
| 2 |
A1 |
753 |
707 |
5.69 |
3076.22 |
0.34 |
0.51 |
| 3 |
B2 |
2336 |
2194 |
3031.39 |
190.86 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 2230.2 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 2094.6 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.