Vibrational Frequencies calculated at MP3=FULL/6-311G**
| 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' |
3558 |
3558 |
15.30 |
|
|
|
| 2 |
A' |
3229 |
3229 |
6.44 |
|
|
|
| 3 |
A' |
2154 |
2154 |
317.39 |
|
|
|
| 4 |
A' |
1468 |
1468 |
2.40 |
|
|
|
| 5 |
A' |
1171 |
1171 |
29.57 |
|
|
|
| 6 |
A' |
1074 |
1074 |
174.78 |
|
|
|
| 7 |
A' |
725 |
725 |
92.26 |
|
|
|
| 8 |
A' |
473 |
473 |
21.60 |
|
|
|
| 9 |
A" |
3327 |
3327 |
0.18 |
|
|
|
| 10 |
A" |
1018 |
1018 |
0.00 |
|
|
|
| 11 |
A" |
939 |
939 |
52.38 |
|
|
|
| 12 |
A" |
420 |
420 |
0.15 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9777.1 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 9777.1 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.