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 |
3495 |
3318 |
7.66 |
|
|
|
| 2 |
A1 |
1689 |
1604 |
12.61 |
|
|
|
| 3 |
A1 |
1518 |
1441 |
27.84 |
|
|
|
| 4 |
B1 |
194 |
184 |
162.25 |
|
|
|
| 5 |
B2 |
3646 |
3462 |
14.31 |
|
|
|
| 6 |
B2 |
1277 |
1212 |
0.95 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5909.5 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 5611.1 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.