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 |
1341 |
1273 |
162.49 |
|
|
|
| 2 |
A1 |
803 |
763 |
212.72 |
|
|
|
| 3 |
A1 |
533 |
506 |
142.68 |
|
|
|
| 4 |
B1 |
752 |
714 |
9.95 |
|
|
|
| 5 |
B2 |
2003 |
1901 |
303.64 |
|
|
|
| 6 |
B2 |
558 |
530 |
7.34 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2994.9 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 2843.7 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.