Vibrational Frequencies calculated at MP3/6-311+G(3df,2p)
| 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 |
3951 |
3951 |
56.56 |
|
|
|
| 2 |
A |
3190 |
3190 |
26.07 |
|
|
|
| 3 |
A |
3102 |
3102 |
50.09 |
|
|
|
| 4 |
A |
1573 |
1573 |
1.38 |
|
|
|
| 5 |
A |
1489 |
1489 |
31.29 |
|
|
|
| 6 |
A |
1431 |
1431 |
20.30 |
|
|
|
| 7 |
A |
1309 |
1309 |
8.80 |
|
|
|
| 8 |
A |
1188 |
1188 |
155.08 |
|
|
|
| 9 |
A |
1112 |
1112 |
151.85 |
|
|
|
| 10 |
A |
1071 |
1071 |
73.88 |
|
|
|
| 11 |
A |
559 |
559 |
28.29 |
|
|
|
| 12 |
A |
374 |
374 |
120.04 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 10174.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 10174.6 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.