Vibrational Frequencies calculated at MP4/cc-pVDZ
| 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 |
3849 |
3722 |
|
|
|
|
| 2 |
A |
3280 |
3171 |
|
|
|
|
| 3 |
A |
3132 |
3029 |
|
|
|
|
| 4 |
A |
1494 |
1444 |
|
|
|
|
| 5 |
A |
1387 |
1341 |
|
|
|
|
| 6 |
A |
1217 |
1177 |
|
|
|
|
| 7 |
A |
1066 |
1031 |
|
|
|
|
| 8 |
A |
722 |
698 |
|
|
|
|
| 9 |
A |
462 |
447 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8304.4 cm
-1
Scaled (by 0.9669) Zero Point Vibrational Energy (zpe) 8029.5 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.