Vibrational Frequencies calculated at MP2/LANL2DZ
| 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' |
1692 |
1630 |
11209.71 |
1748680.00 |
0.33 |
0.50 |
| 2 |
A' |
984 |
948 |
626.80 |
924819.20 |
0.33 |
0.50 |
| 3 |
A' |
318 |
306 |
33.78 |
871.60 |
0.37 |
0.54 |
Unscaled Zero Point Vibrational Energy (zpe) 1496.7 cm
-1
Scaled (by 0.9631) Zero Point Vibrational Energy (zpe) 1441.5 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.