Vibrational Frequencies calculated at MP4/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 |
A1 |
3395 |
3395 |
|
|
|
|
| 2 |
A1 |
2357 |
2357 |
|
|
|
|
| 3 |
A1 |
1532 |
1532 |
|
|
|
|
| 4 |
A1 |
1169 |
1169 |
|
|
|
|
| 5 |
B1 |
493 |
493 |
|
|
|
|
| 6 |
B1 |
84 |
84 |
|
|
|
|
| 7 |
B2 |
3576 |
3576 |
|
|
|
|
| 8 |
B2 |
1159 |
1159 |
|
|
|
|
| 9 |
B2 |
369 |
369 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7066.7 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 7066.7 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.