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 |
A1 |
1049 |
999 |
11.30 |
20.86 |
0.18 |
0.30 |
| 2 |
A1 |
483 |
460 |
28.97 |
5.86 |
0.72 |
0.84 |
| 3 |
B2 |
1257 |
1197 |
67.56 |
18.50 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 1394.1 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 1327.9 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.