Vibrational Frequencies calculated at MP2=FULL/6-31+G**
| 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 |
3196 |
3002 |
24.48 |
|
|
|
| 2 |
A |
3161 |
2969 |
28.86 |
|
|
|
| 3 |
A |
3067 |
2881 |
6.30 |
|
|
|
| 4 |
A |
1571 |
1475 |
8.28 |
|
|
|
| 5 |
A |
1463 |
1374 |
15.00 |
|
|
|
| 6 |
A |
1452 |
1363 |
9.19 |
|
|
|
| 7 |
A |
1132 |
1063 |
12.53 |
|
|
|
| 8 |
A |
989 |
929 |
2.44 |
|
|
|
| 9 |
A |
824 |
774 |
50.31 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8427.2 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 7914.8 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.