Vibrational Frequencies calculated at ROMP2/6-31+G**
| 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 |
3800 |
3800 |
|
|
|
|
| 2 |
A |
3391 |
3391 |
|
|
|
|
| 3 |
A |
3235 |
3235 |
|
|
|
|
| 4 |
A |
1479 |
1479 |
|
|
|
|
| 5 |
A |
1368 |
1368 |
|
|
|
|
| 6 |
A |
1209 |
1209 |
|
|
|
|
| 7 |
A |
1164 |
1164 |
|
|
|
|
| 8 |
A |
851 |
851 |
|
|
|
|
| 9 |
A |
764 |
764 |
|
|
|
|
| 10 |
A |
482 |
482 |
|
|
|
|
| 11 |
A |
277 |
277 |
|
|
|
|
| 12 |
A |
186 |
186 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9103.0 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 9103.0 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.