Vibrational Frequencies calculated at MP3=FULL/3-21G
| 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' |
3401 |
3401 |
3.74 |
|
|
|
| 2 |
A' |
3206 |
3206 |
3.85 |
|
|
|
| 3 |
A' |
2157 |
2157 |
205.88 |
|
|
|
| 4 |
A' |
1534 |
1534 |
5.47 |
|
|
|
| 5 |
A' |
1173 |
1173 |
4.58 |
|
|
|
| 6 |
A' |
1059 |
1059 |
353.87 |
|
|
|
| 7 |
A' |
819 |
819 |
117.53 |
|
|
|
| 8 |
A' |
486 |
486 |
27.41 |
|
|
|
| 9 |
A" |
3285 |
3285 |
0.38 |
|
|
|
| 10 |
A" |
1100 |
1100 |
0.57 |
|
|
|
| 11 |
A" |
977 |
977 |
62.84 |
|
|
|
| 12 |
A" |
438 |
438 |
1.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9816.7 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 9816.7 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.