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 |
3163 |
3058 |
|
|
|
|
| 2 |
A1 |
2827 |
2733 |
|
|
|
|
| 3 |
A1 |
1476 |
1427 |
|
|
|
|
| 4 |
A1 |
1256 |
1215 |
|
|
|
|
| 5 |
B1 |
714 |
690 |
|
|
|
|
| 6 |
B1 |
565 |
547 |
|
|
|
|
| 7 |
B2 |
3248 |
3141 |
|
|
|
|
| 8 |
B2 |
913 |
883 |
|
|
|
|
| 9 |
B2 |
399 |
386 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7280.5 cm
-1
Scaled (by 0.9669) Zero Point Vibrational Energy (zpe) 7039.5 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.