Vibrational Frequencies calculated at MP2=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 |
3055 |
13.62 |
|
|
|
| 2 |
A' |
3184 |
2975 |
23.20 |
|
|
|
| 3 |
A' |
3095 |
2892 |
21.53 |
|
|
|
| 4 |
A' |
1554 |
1452 |
1.89 |
|
|
|
| 5 |
A' |
1540 |
1439 |
3.58 |
|
|
|
| 6 |
A' |
1464 |
1368 |
0.51 |
|
|
|
| 7 |
A' |
1110 |
1037 |
0.05 |
|
|
|
| 8 |
A' |
1026 |
958 |
0.25 |
|
|
|
| 9 |
A' |
473 |
442 |
46.92 |
|
|
|
| 10 |
A" |
3384 |
3162 |
14.61 |
|
|
|
| 11 |
A" |
3230 |
3018 |
19.32 |
|
|
|
| 12 |
A" |
1554 |
1452 |
3.54 |
|
|
|
| 13 |
A" |
1247 |
1165 |
2.06 |
|
|
|
| 14 |
A" |
838 |
783 |
1.57 |
|
|
|
| 15 |
A" |
171 |
160 |
0.38 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 13569.4 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 12679.2 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.