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 |
1381 |
1293 |
0.23 |
3757.60 |
0.32 |
0.49 |
| 2 |
A1 |
752 |
704 |
7.10 |
2094.67 |
0.34 |
0.51 |
| 3 |
B2 |
2272 |
2127 |
1971.90 |
0.14 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 2202.1 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 2062.3 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.