Vibrational Frequencies calculated at MP4=FULL/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' |
3219 |
3219 |
|
|
|
|
| 2 |
A' |
3082 |
3082 |
|
|
|
|
| 3 |
A' |
2111 |
2111 |
|
|
|
|
| 4 |
A' |
1631 |
1631 |
|
|
|
|
| 5 |
A' |
1474 |
1474 |
|
|
|
|
| 6 |
A' |
1210 |
1210 |
|
|
|
|
| 7 |
A' |
910 |
910 |
|
|
|
|
| 8 |
A' |
604 |
604 |
|
|
|
|
| 9 |
A' |
241 |
241 |
|
|
|
|
| 10 |
A" |
1066 |
1066 |
|
|
|
|
| 11 |
A" |
757 |
757 |
|
|
|
|
| 12 |
A" |
342 |
342 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8323.4 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 8323.4 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.