Vibrational Frequencies calculated at MP4/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 |
3760 |
3644 |
|
|
|
|
| 2 |
A |
3294 |
3192 |
|
|
|
|
| 3 |
A |
3147 |
3050 |
|
|
|
|
| 4 |
A |
1446 |
1402 |
|
|
|
|
| 5 |
A |
1374 |
1331 |
|
|
|
|
| 6 |
A |
1206 |
1169 |
|
|
|
|
| 7 |
A |
1156 |
1120 |
|
|
|
|
| 8 |
A |
870 |
843 |
|
|
|
|
| 9 |
A |
718 |
696 |
|
|
|
|
| 10 |
A |
484 |
469 |
|
|
|
|
| 11 |
A |
300 |
290 |
|
|
|
|
| 12 |
A |
192 |
186 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8972.7 cm
-1
Scaled (by 0.9692) Zero Point Vibrational Energy (zpe) 8696.3 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.