Vibrational Frequencies calculated at MP2/aug-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 |
A |
3856 |
3674 |
74.23 |
|
|
|
| 2 |
A |
3341 |
3184 |
6.28 |
|
|
|
| 3 |
A |
3192 |
3041 |
19.87 |
|
|
|
| 4 |
A |
1509 |
1438 |
9.44 |
|
|
|
| 5 |
A |
1368 |
1303 |
22.73 |
|
|
|
| 6 |
A |
1213 |
1156 |
117.60 |
|
|
|
| 7 |
A |
1068 |
1017 |
50.09 |
|
|
|
| 8 |
A |
630 |
600 |
72.74 |
|
|
|
| 9 |
A |
436 |
415 |
63.32 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8305.7 cm
-1
Scaled (by 0.9529) Zero Point Vibrational Energy (zpe) 7914.5 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.