Vibrational Frequencies calculated at MP2/daug-cc-pVTZ
| 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' |
1732 |
1732 |
371.26 |
27.30 |
0.05 |
0.10 |
| 2 |
A' |
933 |
933 |
13.07 |
38.11 |
0.16 |
0.27 |
| 3 |
A' |
536 |
536 |
1.25 |
77.48 |
0.44 |
0.61 |
Unscaled Zero Point Vibrational Energy (zpe) 1600.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 1600.6 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.