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' |
3717 |
3717 |
41.53 |
|
|
|
| 2 |
A' |
3285 |
3285 |
6.51 |
|
|
|
| 3 |
A' |
3167 |
3167 |
1.56 |
|
|
|
| 4 |
A' |
1712 |
1712 |
2.24 |
|
|
|
| 5 |
A' |
1495 |
1495 |
8.65 |
|
|
|
| 6 |
A' |
1350 |
1350 |
82.20 |
|
|
|
| 7 |
A' |
1208 |
1208 |
6.56 |
|
|
|
| 8 |
A' |
814 |
814 |
65.84 |
|
|
|
| 9 |
A' |
512 |
512 |
9.76 |
|
|
|
| 10 |
A" |
1008 |
1008 |
48.98 |
|
|
|
| 11 |
A" |
791 |
791 |
0.95 |
|
|
|
| 12 |
A" |
389 |
389 |
210.31 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9723.4 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 9723.4 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.