Vibrational Frequencies calculated at ROMP2/6-31G
| 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' |
3319 |
3319 |
|
|
|
|
| 2 |
A' |
3197 |
3197 |
|
|
|
|
| 3 |
A' |
3068 |
3068 |
|
|
|
|
| 4 |
A' |
1528 |
1528 |
|
|
|
|
| 5 |
A' |
1469 |
1469 |
|
|
|
|
| 6 |
A' |
1317 |
1317 |
|
|
|
|
| 7 |
A' |
1073 |
1073 |
|
|
|
|
| 8 |
A' |
963 |
963 |
|
|
|
|
| 9 |
A' |
499 |
499 |
|
|
|
|
| 10 |
A" |
967 |
967 |
|
|
|
|
| 11 |
A" |
788 |
788 |
|
|
|
|
| 12 |
A" |
482 |
482 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9334.4 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 9334.4 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.