Vibrational Frequencies calculated at MP2/daug-cc-pVDZ
| 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' |
1876 |
1876 |
486.54 |
3.87 |
0.23 |
0.37 |
| 2 |
A' |
569 |
569 |
85.78 |
9.12 |
0.10 |
0.17 |
| 3 |
A' |
322 |
322 |
70.76 |
25.29 |
0.20 |
0.33 |
Unscaled Zero Point Vibrational Energy (zpe) 1383.1 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 1383.1 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.