Vibrational Frequencies calculated at MP2=FULL/cc-pVTZ-PP
| 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' |
698 |
698 |
0.00 |
9.70 |
0.05 |
0.10 |
| 2 |
A2" |
211 |
211 |
65.50 |
0.00 |
0.00 |
0.00 |
| 3 |
E' |
787 |
787 |
105.65 |
1.29 |
0.75 |
0.86 |
| 3 |
E' |
787 |
787 |
105.65 |
1.29 |
0.75 |
0.86 |
| 4 |
E' |
192 |
192 |
31.48 |
0.78 |
0.75 |
0.86 |
| 4 |
E' |
192 |
192 |
31.48 |
0.78 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 1432.3 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 1432.3 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.