Vibrational Frequencies calculated at MP2/3-21G*
| 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' |
1668 |
1587 |
289.03 |
2172.44 |
0.33 |
0.49 |
| 2 |
A' |
878 |
836 |
14.10 |
81.60 |
0.67 |
0.80 |
| 3 |
A' |
576 |
548 |
18.72 |
3013.93 |
0.38 |
0.55 |
Unscaled Zero Point Vibrational Energy (zpe) 1561.1 cm
-1
Scaled (by 0.9513) Zero Point Vibrational Energy (zpe) 1485.0 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.