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 |
A1 |
3461 |
3347 |
0.00 |
|
|
|
| 2 |
A1 |
2547 |
2463 |
0.00 |
|
|
|
| 3 |
A1 |
1183 |
1144 |
0.00 |
|
|
|
| 4 |
A1 |
192 |
185 |
0.00 |
|
|
|
| 5 |
E |
3596 |
3477 |
0.00 |
|
|
|
| 5 |
E |
3595 |
3476 |
0.00 |
|
|
|
| 6 |
E |
1672 |
1617 |
0.00 |
|
|
|
| 6 |
E |
1672 |
1617 |
0.00 |
|
|
|
| 7 |
E |
764 |
738 |
0.00 |
|
|
|
| 7 |
E |
764 |
738 |
0.00 |
|
|
|
| 8 |
E |
222 |
215 |
0.00 |
|
|
|
| 8 |
E |
222 |
215 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9944.9 cm
-1
Scaled (by 0.9669) Zero Point Vibrational Energy (zpe) 9615.7 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.