Vibrational Frequencies calculated at MP4/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 |
3712 |
3598 |
|
|
|
|
| 2 |
A |
3495 |
3387 |
|
|
|
|
| 3 |
A |
1581 |
1532 |
|
|
|
|
| 4 |
A |
1493 |
1447 |
|
|
|
|
| 5 |
A |
1222 |
1184 |
|
|
|
|
| 6 |
A |
1065 |
1032 |
|
|
|
|
| 7 |
A |
692 |
671 |
|
|
|
|
| 8 |
A |
609 |
590 |
|
|
|
|
| 9 |
A |
301 |
291 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7084.9 cm
-1
Scaled (by 0.9692) Zero Point Vibrational Energy (zpe) 6866.7 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.