Vibrational Frequencies calculated at MP2/6-31+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 |
A' |
3793 |
3568 |
43.50 |
51.89 |
0.25 |
0.39 |
| 2 |
A' |
1384 |
1302 |
67.03 |
3.25 |
0.67 |
0.80 |
| 3 |
A' |
953 |
897 |
1.28 |
7.10 |
0.22 |
0.35 |
Unscaled Zero Point Vibrational Energy (zpe) 3064.9 cm
-1
Scaled (by 0.9406) Zero Point Vibrational Energy (zpe) 2882.8 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.