Vibrational Frequencies calculated at MP3/Def2TZVPP
| 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 |
2349 |
2349 |
57.95 |
|
|
|
| 2 |
A1 |
1016 |
1016 |
144.56 |
|
|
|
| 3 |
A1 |
901 |
901 |
71.14 |
|
|
|
| 4 |
A1 |
329 |
329 |
20.06 |
|
|
|
| 5 |
A2 |
757 |
757 |
0.00 |
|
|
|
| 6 |
B1 |
2356 |
2356 |
148.85 |
|
|
|
| 7 |
B1 |
733 |
733 |
150.15 |
|
|
|
| 8 |
B2 |
1014 |
1014 |
325.97 |
|
|
|
| 9 |
B2 |
933 |
933 |
2.84 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5193.1 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 5193.1 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.