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 |
A1 |
3146 |
3049 |
|
|
|
|
| 2 |
A1 |
2834 |
2746 |
|
|
|
|
| 3 |
A1 |
1483 |
1437 |
|
|
|
|
| 4 |
A1 |
1275 |
1236 |
|
|
|
|
| 5 |
B1 |
723 |
701 |
|
|
|
|
| 6 |
B1 |
596 |
578 |
|
|
|
|
| 7 |
B2 |
3219 |
3120 |
|
|
|
|
| 8 |
B2 |
912 |
883 |
|
|
|
|
| 9 |
B2 |
392 |
380 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7289.0 cm
-1
Scaled (by 0.9692) Zero Point Vibrational Energy (zpe) 7064.5 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.