Vibrational Frequencies calculated at MP2/6-311G**
| 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 |
3923 |
3727 |
59.95 |
|
|
|
| 2 |
A |
3323 |
3158 |
17.81 |
|
|
|
| 3 |
A |
3172 |
3014 |
26.06 |
|
|
|
| 4 |
A |
1528 |
1452 |
10.92 |
|
|
|
| 5 |
A |
1398 |
1328 |
25.14 |
|
|
|
| 6 |
A |
1232 |
1171 |
102.89 |
|
|
|
| 7 |
A |
1090 |
1035 |
49.76 |
|
|
|
| 8 |
A |
735 |
698 |
52.69 |
|
|
|
| 9 |
A |
466 |
443 |
95.40 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8433.7 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 8013.7 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.