Vibrational Frequencies calculated at MP2/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 |
A1' |
3178 |
3017 |
0.00 |
135.83 |
0.09 |
0.16 |
| 2 |
A2" |
486 |
462 |
77.63 |
0.00 |
0.75 |
0.86 |
| 3 |
E' |
3369 |
3199 |
2.01 |
29.04 |
0.75 |
0.86 |
| 3 |
E' |
3369 |
3199 |
2.01 |
29.04 |
0.75 |
0.86 |
| 4 |
E' |
1445 |
1372 |
2.65 |
1.32 |
0.75 |
0.86 |
| 4 |
E' |
1445 |
1372 |
2.65 |
1.32 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 6646.4 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 6310.8 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.