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 |
284 |
284 |
0.00 |
10.57 |
0.00 |
0.00 |
2 |
E |
130 |
130 |
0.00 |
1.97 |
0.75 |
0.86 |
2 |
E |
130 |
130 |
0.00 |
1.97 |
0.75 |
0.86 |
3 |
T2 |
712 |
712 |
79.04 |
2.69 |
0.75 |
0.86 |
3 |
T2 |
712 |
712 |
79.04 |
2.69 |
0.75 |
0.86 |
3 |
T2 |
712 |
712 |
79.04 |
2.69 |
0.75 |
0.86 |
4 |
T2 |
191 |
191 |
0.05 |
2.36 |
0.75 |
0.86 |
4 |
T2 |
191 |
191 |
0.05 |
2.36 |
0.75 |
0.86 |
4 |
T2 |
191 |
191 |
0.05 |
2.36 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 1625.4 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 1625.4 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.