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' |
3197 |
3197 |
2.09 |
|
|
|
| 2 |
A' |
3123 |
3123 |
7.95 |
|
|
|
| 3 |
A' |
1999 |
1999 |
320.58 |
|
|
|
| 4 |
A' |
1536 |
1536 |
1.16 |
|
|
|
| 5 |
A' |
1250 |
1250 |
16.76 |
|
|
|
| 6 |
A' |
891 |
891 |
490.96 |
|
|
|
| 7 |
A' |
719 |
719 |
93.47 |
|
|
|
| 8 |
A' |
488 |
488 |
42.21 |
|
|
|
| 9 |
A" |
3312 |
3312 |
2.65 |
|
|
|
| 10 |
A" |
1177 |
1177 |
6.71 |
|
|
|
| 11 |
A" |
990 |
990 |
12.44 |
|
|
|
| 12 |
A" |
350 |
350 |
3.78 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9516.4 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 9516.4 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.