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' |
3151 |
3054 |
|
|
|
|
| 2 |
A' |
3035 |
2942 |
|
|
|
|
| 3 |
A' |
1504 |
1458 |
|
|
|
|
| 4 |
A' |
1453 |
1409 |
|
|
|
|
| 5 |
A' |
1370 |
1328 |
|
|
|
|
| 6 |
A' |
1146 |
1111 |
|
|
|
|
| 7 |
A' |
858 |
832 |
|
|
|
|
| 8 |
A' |
569 |
551 |
|
|
|
|
| 9 |
A" |
3134 |
3037 |
|
|
|
|
| 10 |
A" |
1468 |
1422 |
|
|
|
|
| 11 |
A" |
973 |
943 |
|
|
|
|
| 12 |
A" |
146 |
141 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9403.8 cm
-1
Scaled (by 0.9692) Zero Point Vibrational Energy (zpe) 9114.2 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.