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' |
3611 |
3611 |
0.79 |
|
|
|
| 2 |
A' |
3189 |
3189 |
43.08 |
|
|
|
| 3 |
A' |
3094 |
3094 |
73.45 |
|
|
|
| 4 |
A' |
1725 |
1725 |
23.32 |
|
|
|
| 5 |
A' |
1569 |
1569 |
6.27 |
|
|
|
| 6 |
A' |
1523 |
1523 |
2.92 |
|
|
|
| 7 |
A' |
1227 |
1227 |
12.14 |
|
|
|
| 8 |
A' |
1109 |
1109 |
7.94 |
|
|
|
| 9 |
A' |
904 |
904 |
158.67 |
|
|
|
| 10 |
A" |
3698 |
3698 |
0.06 |
|
|
|
| 11 |
A" |
3231 |
3231 |
33.36 |
|
|
|
| 12 |
A" |
1587 |
1587 |
1.41 |
|
|
|
| 13 |
A" |
1402 |
1402 |
0.02 |
|
|
|
| 14 |
A" |
1003 |
1003 |
0.12 |
|
|
|
| 15 |
A" |
339 |
339 |
43.46 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 14604.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 14604.6 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.