Vibrational Frequencies calculated at MP4/daug-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 |
A' |
3408 |
3408 |
|
|
|
|
| 2 |
A' |
3160 |
3160 |
|
|
|
|
| 3 |
A' |
3046 |
3046 |
|
|
|
|
| 4 |
A' |
1640 |
1640 |
|
|
|
|
| 5 |
A' |
1460 |
1460 |
|
|
|
|
| 6 |
A' |
1365 |
1365 |
|
|
|
|
| 7 |
A' |
1059 |
1059 |
|
|
|
|
| 8 |
A" |
1140 |
1140 |
|
|
|
|
| 9 |
A" |
1062 |
1062 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8669.5 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 8669.5 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.