Vibrational Frequencies calculated at MP3/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 |
1433 |
1353 |
187.24 |
|
|
|
| 2 |
A1 |
924 |
872 |
239.81 |
|
|
|
| 3 |
A1 |
674 |
636 |
21.26 |
|
|
|
| 4 |
B1 |
814 |
769 |
15.70 |
|
|
|
| 5 |
B2 |
1949 |
1841 |
600.48 |
|
|
|
| 6 |
B2 |
628 |
593 |
2.31 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3210.1 cm
-1
Scaled (by 0.9447) Zero Point Vibrational Energy (zpe) 3032.6 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.