Vibrational Frequencies calculated at ROMP2/6-311G*
| 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 |
3787 |
3787 |
|
|
|
|
| 2 |
A |
3335 |
3335 |
|
|
|
|
| 3 |
A |
3183 |
3183 |
|
|
|
|
| 4 |
A |
1476 |
1476 |
|
|
|
|
| 5 |
A |
1434 |
1434 |
|
|
|
|
| 6 |
A |
1232 |
1232 |
|
|
|
|
| 7 |
A |
1187 |
1187 |
|
|
|
|
| 8 |
A |
885 |
885 |
|
|
|
|
| 9 |
A |
777 |
777 |
|
|
|
|
| 10 |
A |
499 |
499 |
|
|
|
|
| 11 |
A |
307 |
307 |
|
|
|
|
| 12 |
A |
180 |
180 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9141.3 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 9141.3 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.