Vibrational Frequencies calculated at MP3=FULL/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' |
3410 |
3410 |
0.03 |
|
|
|
| 2 |
A' |
3300 |
3300 |
2.94 |
|
|
|
| 3 |
A' |
1789 |
1789 |
116.76 |
|
|
|
| 4 |
A' |
1466 |
1466 |
4.92 |
|
|
|
| 5 |
A' |
1266 |
1266 |
181.87 |
|
|
|
| 6 |
A' |
995 |
995 |
31.50 |
|
|
|
| 7 |
A' |
725 |
725 |
40.73 |
|
|
|
| 8 |
A' |
441 |
441 |
2.24 |
|
|
|
| 9 |
A' |
380 |
380 |
0.14 |
|
|
|
| 10 |
A" |
867 |
867 |
60.12 |
|
|
|
| 11 |
A" |
749 |
749 |
1.04 |
|
|
|
| 12 |
A" |
531 |
531 |
0.04 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7959.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 7959.6 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.