Vibrational Frequencies calculated at MP4=FULL/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 |
3739 |
3600 |
|
|
|
|
| 2 |
A |
3521 |
3390 |
|
|
|
|
| 3 |
A |
1595 |
1536 |
|
|
|
|
| 4 |
A |
1505 |
1450 |
|
|
|
|
| 5 |
A |
1226 |
1181 |
|
|
|
|
| 6 |
A |
1081 |
1041 |
|
|
|
|
| 7 |
A |
708 |
681 |
|
|
|
|
| 8 |
A |
615 |
592 |
|
|
|
|
| 9 |
A |
214 |
206 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7101.8 cm
-1
Scaled (by 0.9629) Zero Point Vibrational Energy (zpe) 6838.3 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.