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' |
3270 |
3270 |
14.03 |
|
|
|
| 2 |
A' |
3182 |
3182 |
26.86 |
|
|
|
| 3 |
A' |
3100 |
3100 |
24.86 |
|
|
|
| 4 |
A' |
1556 |
1556 |
2.18 |
|
|
|
| 5 |
A' |
1543 |
1543 |
2.99 |
|
|
|
| 6 |
A' |
1471 |
1471 |
0.19 |
|
|
|
| 7 |
A' |
1105 |
1105 |
0.06 |
|
|
|
| 8 |
A' |
1030 |
1030 |
0.21 |
|
|
|
| 9 |
A' |
455 |
455 |
46.39 |
|
|
|
| 10 |
A" |
3378 |
3378 |
16.97 |
|
|
|
| 11 |
A" |
3225 |
3225 |
22.81 |
|
|
|
| 12 |
A" |
1558 |
1558 |
3.27 |
|
|
|
| 13 |
A" |
1247 |
1247 |
2.00 |
|
|
|
| 14 |
A" |
837 |
837 |
1.17 |
|
|
|
| 15 |
A" |
155 |
155 |
0.34 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 13556.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 13556.6 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.