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 |
Σg |
2113 |
2043 |
|
|
|
|
| 2 |
Σg |
740 |
715 |
|
|
|
|
| 3 |
Σu |
2366 |
2287 |
|
|
|
|
| 4 |
Σu |
1518 |
1468 |
|
|
|
|
| 5 |
Πg |
557 |
538 |
|
|
|
|
| 5 |
Πg |
557 |
538 |
|
|
|
|
| 6 |
Πu |
521 |
503 |
|
|
|
|
| 6 |
Πu |
521 |
503 |
|
|
|
|
| 7 |
Πu |
79 |
76 |
|
|
|
|
| 7 |
Πu |
79 |
76 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4524.3 cm
-1
Scaled (by 0.9669) Zero Point Vibrational Energy (zpe) 4374.6 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.