Vibrational Frequencies calculated at MP2/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' |
3542 |
3374 |
47.91 |
167.75 |
0.30 |
0.46 |
| 2 |
A' |
1425 |
1357 |
76.27 |
5.96 |
0.52 |
0.68 |
| 3 |
A' |
1156 |
1101 |
103.48 |
9.21 |
0.55 |
0.71 |
Unscaled Zero Point Vibrational Energy (zpe) 3061.4 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 2916.0 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.