Vibrational Frequencies calculated at MP2=FULL/6-31+G**
| 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 |
3806 |
3574 |
90.13 |
|
|
|
| 2 |
A |
3573 |
3356 |
46.39 |
|
|
|
| 3 |
A |
1631 |
1532 |
88.31 |
|
|
|
| 4 |
A |
1573 |
1477 |
178.14 |
|
|
|
| 5 |
A |
1264 |
1187 |
137.70 |
|
|
|
| 6 |
A |
1133 |
1064 |
54.03 |
|
|
|
| 7 |
A |
703 |
660 |
1.57 |
|
|
|
| 8 |
A |
633 |
594 |
1.37 |
|
|
|
| 9 |
A |
28 |
26 |
263.98 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7170.8 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 6734.8 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.