Vibrational Frequencies calculated at MP2/cc-pVDZ
| 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 |
3431 |
3268 |
2.84 |
|
|
|
| 2 |
A1 |
1619 |
1542 |
44.89 |
|
|
|
| 3 |
A1 |
1453 |
1384 |
8.71 |
|
|
|
| 4 |
B1 |
714 |
680 |
169.71 |
|
|
|
| 5 |
B2 |
3530 |
3363 |
16.71 |
|
|
|
| 6 |
B2 |
1013 |
965 |
0.02 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5880.2 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 5600.8 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.