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 |
A1 |
3199 |
3101 |
|
|
|
|
| 2 |
A1 |
2153 |
2087 |
|
|
|
|
| 3 |
A1 |
1409 |
1365 |
|
|
|
|
| 4 |
A1 |
1128 |
1094 |
|
|
|
|
| 5 |
B1 |
577 |
560 |
|
|
|
|
| 6 |
B1 |
498 |
483 |
|
|
|
|
| 7 |
B2 |
3304 |
3202 |
|
|
|
|
| 8 |
B2 |
984 |
954 |
|
|
|
|
| 9 |
B2 |
427 |
414 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6839.6 cm
-1
Scaled (by 0.9692) Zero Point Vibrational Energy (zpe) 6628.9 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.