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' |
3215 |
3055 |
9.94 |
|
|
|
| 2 |
A' |
1382 |
1313 |
25.95 |
|
|
|
| 3 |
A' |
1124 |
1068 |
196.99 |
|
|
|
| 4 |
A' |
768 |
730 |
40.88 |
|
|
|
| 5 |
A' |
472 |
448 |
1.59 |
|
|
|
| 6 |
A' |
294 |
279 |
0.05 |
|
|
|
| 7 |
A" |
1325 |
1259 |
75.72 |
|
|
|
| 8 |
A" |
851 |
809 |
253.54 |
|
|
|
| 9 |
A" |
383 |
364 |
0.34 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4907.2 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 4662.9 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.