Vibrational Frequencies calculated at MP4=FULL/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 |
A1 |
1893 |
1827 |
|
|
|
|
| 2 |
A1 |
1076 |
1039 |
|
|
|
|
| 3 |
A1 |
817 |
788 |
|
|
|
|
| 4 |
A1 |
712 |
688 |
|
|
|
|
| 5 |
B1 |
763 |
736 |
|
|
|
|
| 6 |
B1 |
290 |
280 |
|
|
|
|
| 7 |
B2 |
1188 |
1147 |
|
|
|
|
| 8 |
B2 |
693 |
669 |
|
|
|
|
| 9 |
B2 |
558 |
539 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3995.5 cm
-1
Scaled (by 0.9651) Zero Point Vibrational Energy (zpe) 3856.0 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.