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 |
1733 |
1673 |
|
|
|
|
| 2 |
A1 |
927 |
895 |
|
|
|
|
| 3 |
A1 |
346 |
334 |
|
|
|
|
| 4 |
A1 |
207 |
200 |
|
|
|
|
| 5 |
A2 |
237 |
229 |
|
|
|
|
| 6 |
B1 |
132 |
127 |
|
|
|
|
| 7 |
B2 |
1682 |
1624 |
|
|
|
|
| 8 |
B2 |
668 |
644 |
|
|
|
|
| 9 |
B2 |
206 |
199 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3068.9 cm
-1
Scaled (by 0.9651) Zero Point Vibrational Energy (zpe) 2961.8 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.