Vibrational Frequencies calculated at ROMP2/STO-3G
| 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' |
3648 |
3648 |
|
|
|
|
| 2 |
A' |
3463 |
3463 |
|
|
|
|
| 3 |
A' |
3319 |
3319 |
|
|
|
|
| 4 |
A' |
1614 |
1614 |
|
|
|
|
| 5 |
A' |
1573 |
1573 |
|
|
|
|
| 6 |
A' |
1450 |
1450 |
|
|
|
|
| 7 |
A' |
1122 |
1122 |
|
|
|
|
| 8 |
A' |
970 |
970 |
|
|
|
|
| 9 |
A' |
493 |
493 |
|
|
|
|
| 10 |
A" |
936 |
936 |
|
|
|
|
| 11 |
A" |
531 |
531 |
|
|
|
|
| 12 |
A" |
413 |
413 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9765.7 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 9765.7 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.