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 |
A1 |
3237 |
3076 |
22.43 |
|
|
|
| 2 |
A1 |
2395 |
2276 |
260.78 |
|
|
|
| 3 |
A1 |
1447 |
1375 |
24.39 |
|
|
|
| 4 |
A1 |
1169 |
1111 |
4.77 |
|
|
|
| 5 |
B1 |
564 |
536 |
1.99 |
|
|
|
| 6 |
B1 |
228i |
217i |
193.94 |
|
|
|
| 7 |
B2 |
3379 |
3211 |
4.41 |
|
|
|
| 8 |
B2 |
1134 |
1078 |
0.31 |
|
|
|
| 9 |
B2 |
448 |
426 |
1.07 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6773.1 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 6436.5 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.