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' |
3305 |
3203 |
|
|
|
|
| 2 |
A' |
3196 |
3097 |
|
|
|
|
| 3 |
A' |
1692 |
1640 |
|
|
|
|
| 4 |
A' |
1409 |
1366 |
|
|
|
|
| 5 |
A' |
1208 |
1171 |
|
|
|
|
| 6 |
A' |
959 |
930 |
|
|
|
|
| 7 |
A' |
698 |
676 |
|
|
|
|
| 8 |
A' |
431 |
417 |
|
|
|
|
| 9 |
A' |
367 |
356 |
|
|
|
|
| 10 |
A" |
839 |
813 |
|
|
|
|
| 11 |
A" |
722 |
700 |
|
|
|
|
| 12 |
A" |
525 |
509 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7674.9 cm
-1
Scaled (by 0.9692) Zero Point Vibrational Energy (zpe) 7438.5 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.