Vibrational Frequencies calculated at MP2/cc-pV(D+d)Z
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A |
2751 |
2751 |
2.57 |
|
|
|
| 2 |
A |
918 |
918 |
0.29 |
|
|
|
| 3 |
A |
532 |
532 |
0.12 |
|
|
|
| 4 |
A |
449 |
449 |
16.70 |
|
|
|
| 5 |
B |
2754 |
2754 |
5.59 |
|
|
|
| 6 |
B |
921 |
921 |
4.95 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4161.9 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 4161.9 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.